SCHEMBL9632497

SCHEMBL9632497

C=C(c1ccccc1)c1ccccc1C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
CXCL8 P10145 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9715714 0.85 ALDH1A1 (0.47) PTGS2PTGS1MAPTSMN1; SMN2HPGD
SCHEMBL6547364 0.83 GABRA1 (0.45) PTGS1MAPTSMN1; SMN2LMNAXBP1
SCHEMBL9715755 0.83 PTGS2 (0.44) PTGS2PTGS1MAPTSMN1; SMN2LMNA
SCHEMBL4144845 0.82 PTGS2 (0.57) PTGS2PTGS1MAPTSMN1; SMN2LMNA
SCHEMBL3355855 0.82 PTGS2 (0.57) PTGS2PTGS1MAPTSMN1; SMN2LMNA
SCHEMBL9715718 0.82 CXCL8 (0.41) PTGS2PTGS1CXCL8ALDH1A1MMP1
SCHEMBL9715759 0.81 TSHR (0.45) PTGS2PTGS1MAPTLMNAATM
SCHEMBL9715754 0.81 PTGS1 (0.52) PTGS2PTGS1XBP1NPSR1HPGD
SCHEMBL9715765 0.80 PTGS2 (0.40) PTGS2PTGS1MAPTSMN1; SMN2LMNA
SCHEMBL6687220 0.80 ALDH1A1 (0.52) PTGS2PTGS1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1013052-A None JP disclosed
JP-1013052-A None JP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
EP-0282065-B1 (PHENYLETHENYL) PHENYLPROPIONIC ACID AND ITS ESTER, AND METHOD FOR PRODUCING (BENZOYLPHENYL) PROPIONIC ACID OR ITS ESTER NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4937375-A (Phenylethenyl)phenylpropionic acid and its ester, and method for producing (benzoylphenyl)propionic acid or its ester NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-26 US disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
JP-S6413052-A PRODUCTION OF ((1-PHENYLETHENYL) PHENYL) PROPIONIC ACID AND/OR ITS ESTER NIPPON PETROCHEMICALS CO LTD 1989-01-17 JP disclosed
JP-S6413052-A PRODUCTION OF ((1-PHENYLETHENYL) PHENYL) PROPIONIC ACID AND/OR ITS ESTER NIPPON PETROCHEMICALS CO LTD 1989-01-17 JP disclosed
EP-0282065-A2 (Phenylethenyl) phenylpropionic acid and its ester, and method for producing (benzoylphenyl) propionic acid or its ester NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-14 EP disclosed