SCHEMBL9063258

SCHEMBL9063258

CC(C(=O)O)c1ccc(CC2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 14/20 0.65
▸ PTGS2 P35354 13/20 0.65
▸ MT-CO1 P00395 1/20 0.65
▸ MT-CO2 P00403 1/20 0.65
▸ OPRK1 P41145 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ KEAP1 Q14145 2/20 0.56
▸ NFE2L2 Q16236 2/20 0.56
▸ LMNA P02545 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ AKR1C3 P42330 2/20 0.54
▸ CXCR1 P25024 2/20 0.54
▸ CXCR2 P25025 2/20 0.54
▸ ALB P02768 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ RARB P10826 1/20 0.54
▸ ADRB3 P13945 1/20 0.54
▸ NFKB1 P19838 1/20 0.54

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
SCHEMBL1345176 1.00 PTGS1 (0.65) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL24307189 0.98 PTGS1 (0.67) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL9063786 0.98 PTGS1 (0.67) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL11195904 0.84 PTGS1 (0.64) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL1345174 0.82 LTB4R (0.46) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL11185009 0.82 KEAP1 (0.50) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL10883113 0.82 PTGS1 (0.94) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL9063276 0.82 PTGS1 (0.94) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL23190505 0.82 KEAP1 (0.48) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL9139198 0.82 PTGS1 (0.94) PTGS1PTGS2MT-CO1MT-CO2OPRK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063242-B2 for treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis; prevention and treatment of damages caused by ischemia and reperfusion DOMPE PHA.R.MA S.P.A. (IT) 2011-11-22 — — US disclosed
US-8063242-B2 for treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis; prevention and treatment of damages caused by ischemia and reperfusion DOMPE PHA.R.MA S.P.A. (IT) 2011-11-22 — — US disclosed
CN-1046935-C Phenylalkan derivative, preparation of same and seperation of optical isomer of same HISAMITSU PHARMACEUTICAL CO (JP) 1999-12-01 — — CN disclosed
EP-0641760-B1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF HISAMITSU PHARMACEUTICAL CO (JP) 1996-11-06 — — EP disclosed
CN-1033086-C Process for producing phenylalkanoic acid derivative HISAMITSU PHARMACEUTICAL CO (JP) 1996-10-23 — — CN disclosed
US-5434292-A Phenylalkanoic acid derivatives, process for producing the same and process for separating optical isomers thereof HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1995-07-18 — — US disclosed
EP-0641760-A1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF Hisamitsu Pharmaceutical Co., Inc. (JP) 1995-03-08 — — EP disclosed
CN-1089935-A Octadecyloxy phenyl acid derivative, its preparation method and optical isomer separation method thereof HISAMITSU PHARMACEUTICAL CO (JP) 1994-07-27 — — CN disclosed
CN-1069484-A Octadecyloxy phenyl acid derivative, its preparation method and optical isomer separation method thereof HISAMITSU PHARMACEUTICAL CO (JP) 1993-03-03 — — CN disclosed
US-4407823-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1983-10-04 — — US disclosed
EP-0007319-A1 Indan-1-carboxylic acid derivatives,process for their preparation and pharmaceutical preparations containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1980-02-06 — — EP disclosed
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