SCHEMBL7538892

SCHEMBL7538892

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.45
PARP10 Q53GL7 3/20 0.45
ACACB O00763 2/20 0.44
YAP1 P46937 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ADAM17 P78536 1/20 0.43
SRC P12931 3/20 0.41
YES1 P07947 1/20 0.41
GPR88 Q9GZN0 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
SCHEMBL7538887 1.00 PARP15 (0.45) PARP15PARP10ACACBYAP1MEN1
SCHEMBL7539256 0.85 ALDH1A1 (0.50) YAP1MEN1ALDH1A1LMNAKMT2A
SCHEMBL7539252 0.85 ALDH1A1 (0.50) YAP1MEN1ALDH1A1LMNAKMT2A
SCHEMBL7539258 0.85 ALDH1A1 (0.50) YAP1MEN1ALDH1A1LMNAKMT2A
SCHEMBL3500200 0.84 CACNA1B (0.56) ACACBYAP1MEN1ALDH1A1LMNA
SCHEMBL3500202 0.84 CACNA1B (0.56) ACACBYAP1MEN1ALDH1A1LMNA
SCHEMBL7545946 0.82 YAP1 (0.51) YAP1MEN1ALDH1A1LMNAKMT2A
SCHEMBL7538553 0.82 YAP1 (0.51) YAP1MEN1ALDH1A1LMNAKMT2A
SCHEMBL7538549 0.82 YAP1 (0.51) YAP1MEN1ALDH1A1LMNAKMT2A
SCHEMBL7545944 0.82 YAP1 (0.51) YAP1MEN1ALDH1A1LMNAKMT2A

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