SCHEMBL7337971

SCHEMBL7337971

CC(C)CC(NS(=O)(=O)N1CCCCC1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.51
REN P00797 4/20 0.48
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
BCL2 P10415 1/20 0.47
CACNA1B Q00975 7/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7337967 1.00 YAP1 (0.51) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7341442 1.00 YAP1 (0.51) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7341444 1.00 YAP1 (0.51) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7345907 0.92 REN (0.51) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7345901 0.92 REN (0.51) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7342880 0.87 CACNA1B (0.58) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7345113 0.87 CACNA1B (0.58) YAP1RENIL1RNERAP2ERAP1
SCHEMBL21023244 0.87 CACNA1B (0.58) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7344934 0.87 CACNA1B (0.58) YAP1RENIL1RNERAP2ERAP1
SCHEMBL7344929 0.87 CACNA1B (0.58) YAP1RENIL1RNERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed