SCHEMBL9287653

SCHEMBL9287653

C=CCc1ccccc1-c1ccc(C(=O)O)nc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
P4HTM Q9NXG6 7/20 0.41
GCGR P47871 1/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
AKR1B1 P15121 1/20 0.40
MAP4K4 O95819 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9287495 0.84 GABRA1 (0.42) GABRA1GABRB2AKR1B1KDM4E
SCHEMBL28551302 0.82 HIF1A (0.46) HIF1AP4HTMGCGRP4HA1MIF
SCHEMBL27806948 0.81 DPP4 (0.53) HIF1AP4HTMGCGRP4HA1MIF
SCHEMBL8943287 0.79 FOLH1 (0.52) GABRA1GABRB2AKR1B1
SCHEMBL9287660 0.78 P4HTM (0.51) HIF1AP4HTMP4HA1MIFMAP4K4
SCHEMBL9289369 0.77 GABRA1 (0.44) GABRA1GABRB2P4HTMP4HA1AKR1B1
SCHEMBL18015585 0.75 P4HTM (0.50) P4HTMP4HA1MIFMAP4K4KDM4E
SCHEMBL9420298 0.74 GABRA1 (0.47) GABRA1GABRB2AKR1B1ALDH1A1
SCHEMBL170787 0.74 DPP4 (0.54) GABRA1GABRB2AKR1B1MAP4K4KDM4E
SCHEMBL10432643 0.73 P4HTM (0.62) HIF1AP4HTMP4HA1MIFKDM4E

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-0336619-B1 Optically active pyridylethanol derivatives CHISSO CORP (JP) 1995-02-22 EP disclosed
US-4965018-A LIQUID CRYSTAL; HIGH TWISTABILITY, TEMPERTURE CHARACTERISTICS CHISSO CORPORATION (JP) 1990-10-23 US disclosed
EP-0336619-A2 Optically active pyridylethanol derivatives Chisso Corporation (JP) 1989-10-11 EP disclosed