SCHEMBL7539574

SCHEMBL7539574

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.50
MMP3 P08254 9/20 0.50
MMP9 P14780 2/20 0.49
MMP2 P08253 6/20 0.48
YAP1 P46937 8/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.43
RAB9A P51151 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
SCHEMBL7539569 1.00 MMP1 (0.50) MMP1MMP3MMP9MMP2YAP1
SCHEMBL7539566 1.00 MMP1 (0.50) MMP1MMP3MMP9MMP2YAP1
SCHEMBL7538205 0.93 MMP1 (0.55) MMP1MMP3MMP9MMP2YAP1
SCHEMBL7539256 0.91 ALDH1A1 (0.50) MMP1MMP3MMP9YAP1MEN1
SCHEMBL7539258 0.91 ALDH1A1 (0.50) MMP1MMP3MMP9YAP1MEN1
SCHEMBL7539252 0.91 ALDH1A1 (0.50) MMP1MMP3MMP9YAP1MEN1
SCHEMBL7538473 0.91 MMP1 (0.52) MMP1MMP3MMP9MMP2
SCHEMBL7538481 0.87 YAP1 (0.47) MMP1MMP3MMP2YAP1ALDH1A1
SCHEMBL7538472 0.87 YAP1 (0.47) MMP1MMP3MMP2YAP1ALDH1A1
SCHEMBL7538477 0.87 YAP1 (0.47) MMP1MMP3MMP2YAP1ALDH1A1

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