SCHEMBL6556394

SCHEMBL6556394

C=CCOC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.57
▸ PTGS1 P23219 4/20 0.57
▸ CXCR1 P25024 3/20 0.57
▸ CXCR2 P25025 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ AKR1C3 P42330 2/20 0.57
▸ ALB P02768 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ ALOX5 P09917 1/20 0.57
▸ RARB P10826 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ NR1I3 Q14994 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ CXCL8 P10145 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ BLM P54132 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30116363 0.85 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL16014937 0.83 PTGS2 (0.46) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9128778 0.83 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9130425 0.83 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL7906363 0.83 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9838070 0.83 ALDH1A1 (0.46) PTGS2PTGS1ESR1TSHRPGR
Hydrochloric Acid SCHEMBL16014959 0.82 PTGS2 (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL17464177 0.82 PTGS2 (0.66) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL12896272 0.82 PTGS2 (0.66) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL10774213 0.81 ALDH1A1 (0.43) PTGS2CXCR1CXCR2LMNAADRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414207-B1 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-08-03 — — EP claimed
EP-0374850-B1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-03-09 — — EP claimed
US-5260477-A Multistage process of catalytic dehydrogenation and reaction with carbon monoxide then hydrogenation NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-11-09 — — US claimed
EP-0347939-B1 METHOD FOR PREPARING ALPHA-(4-ISOBUTYLPHENYL) PROPIONIC ACID OR ITS PRECURSOR NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-08-25 — — EP claimed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 — — US claimed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 — — EP claimed
EP-0374850-A1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-27 — — EP claimed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 — — EP claimed
EP-1229014-B1 Purification process for arylcarboxylic acids ALBEMARLE CORP (US) 2004-08-11 — — EP disclosed
EP-1394141-A1 Preparation of aryl olefins ALBEMARLE CORPORATION (US) 2004-03-03 — — EP disclosed
EP-0961765-B1 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORP (US) 2003-07-09 — — EP disclosed
EP-0961763-B1 PREPARATION OF OLEFINIC COMPOUNDS AND CARBOXYLIC DERIVATIVES THEREOF ALBEMARLE CORP (US) 2003-04-02 — — EP disclosed
EP-1229014-A1 Purification process for arylcarboxylic acids ALBEMARLE CORPORATION (US) 2002-08-07 — — EP disclosed
EP-1095005-A1 PREPARATION OF CARBOXYLIC COMPOUNDS AND THEIR DERIVATIVES ALBEMARLE CORPORATION (US) 2001-05-02 — — EP disclosed
EP-0347939-B1 METHOD FOR PREPARING ALPHA-(4-ISOBUTYLPHENYL) PROPIONIC ACID OR ITS PRECURSOR NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-08-25 — — EP disclosed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 — — US disclosed
US-5097061-A From isobutylbenzene and ethylene, dehydrogenation, carboxylation of the p-isobutylstyrene product, catalytic NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-03-17 — — US disclosed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 — — EP disclosed
EP-0374850-A1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-27 — — EP disclosed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 — — EP disclosed
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