SCHEMBL9434674

SCHEMBL9434674

C=CC(=O)Cc1cnccc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGER1 P34995 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 1/20 0.43
NR4A2 P43354 2/20 0.43
GPR132 Q9UNW8 3/20 0.42
CFD P00746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMPD1 P17405 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CMKLR2 P46091 1/20 0.41

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
SCHEMBL9434218 0.88 GSTP1 (0.46) FFAR1ALDH1A1SMN1; SMN2PTGER4PTGER3
SCHEMBL9434756 0.81 CYP3A4 (0.39) CYP3A4CYP2C9
SCHEMBL9434194 0.81 IDO1 (0.45) LMNAPTGER1CYP3A4CYP2C9PTGER4
SCHEMBL9434742 0.79 GPBAR1 (0.41) PTGER1CYP3A4CYP2C9
SCHEMBL9433871 0.78 PDE4A (0.37) FFAR1
SCHEMBL9434701 0.78 EGFR (0.40) ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9
SCHEMBL9434449 0.78 RPS6KA3 (0.46) FFAR1KDM4E
SCHEMBL9434562 0.75 SLC22A12 (0.47) ALDH1A1CYP3A4MAPK1
SCHEMBL9433930 0.74 GPBAR1 (0.36) ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL9433405 0.74 PDE4A (0.43) ALDH1A1SMN1; SMN2CYP3A4CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed