SCHEMBL7538549

SCHEMBL7538549

COC(=O)C(Cc1ccc(OCC2CCCCC2)cc1)NC(=O)[C@@H](OCc1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 12/20 0.51
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PPARG P37231 1/20 0.47
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7538553 1.00 YAP1 (0.51) YAP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7541768 0.93 MME (0.49) YAP1CTSSCTSKPPARG
SCHEMBL7541764 0.93 MME (0.49) YAP1CTSSCTSKPPARG
SCHEMBL7539252 0.87 ALDH1A1 (0.50) YAP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7539256 0.87 ALDH1A1 (0.50) YAP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7539258 0.87 ALDH1A1 (0.50) YAP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL3133288 0.84 CTSS (0.60) YAP1ALDH1A1MEN1KMT2ACTSS
SCHEMBL7541085 0.84 ALDH1A1 (0.53) YAP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7541086 0.84 ALDH1A1 (0.53) YAP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7545946 0.84 YAP1 (0.51) YAP1ALDH1A1MEN1LMNAKMT2A

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