SCHEMBL7538481

SCHEMBL7538481

COC(=O)[C@H](Cc1ccc(OCC2CCCCC2)cc1)NC(=O)[C@@H](CCCc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 8/20 0.47
MMP2 P08253 4/20 0.46
MMP1 P03956 4/20 0.46
MMP3 P08254 3/20 0.46
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
FCER2 P06734 1/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL7538477 1.00 YAP1 (0.47) YAP1MMP2MMP1MMP3GAA
SCHEMBL7538472 1.00 YAP1 (0.47) YAP1MMP2MMP1MMP3GAA
SCHEMBL7538830 0.92 MME (0.50) YAP1MMP2MMP1MMP3FCER2
SCHEMBL7538825 0.92 MME (0.50) YAP1MMP2MMP1MMP3FCER2
SCHEMBL7538836 0.92 MME (0.50) YAP1MMP2MMP1MMP3FCER2
SCHEMBL7539574 0.87 MMP1 (0.50) YAP1MMP2MMP1MMP3GAA
SCHEMBL7539569 0.87 MMP1 (0.50) YAP1MMP2MMP1MMP3GAA
SCHEMBL7539566 0.87 MMP1 (0.50) YAP1MMP2MMP1MMP3GAA
SCHEMBL7539252 0.81 ALDH1A1 (0.50) YAP1MMP1MMP3GAARAB9A
SCHEMBL7539256 0.81 ALDH1A1 (0.50) YAP1MMP1MMP3GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed