SCHEMBL9633401

SCHEMBL9633401

C=C(c1ccccc1)c1cccc(C(C)C(=O)OCCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
PTGS1 P23219 7/20 0.54
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CXCL8 P10145 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 1/20 0.40

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
SCHEMBL9632512 0.92 PTGS1 (0.52) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL9632527 0.89 PTGS2 (0.55) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL21908445 0.86 PTGS2 (0.70) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL9634034 0.85 PTGS2 (0.57) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL9633124 0.83 PTGS1 (0.74) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL9633429 0.83 PTGS2 (0.51) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL9633406 0.82 PTGS2 (0.56) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL4192926 0.81 LMNA (0.55) PTGS2PTGS1LMNASMN1; SMN2ALDH1A1
SCHEMBL9633442 0.80 PTGS1 (0.53) PTGS2PTGS1LMNAMAPTCXCR1
SCHEMBL13974049 0.80 PTGS1 (0.71) PTGS2PTGS1LMNAMAPTCXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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