SCHEMBL7345907

SCHEMBL7345907

CC(C)CC(NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.51
YAP1 P46937 2/20 0.48
CTSD P07339 1/20 0.47
PGA5 P0DJD9 1/20 0.47
CTSE P14091 1/20 0.47
PGC P20142 1/20 0.47
CACNA1B Q00975 1/20 0.47
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL7345901 1.00 REN (0.51) RENYAP1CTSDPGA5CTSE
SCHEMBL7337967 0.92 YAP1 (0.51) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7337971 0.92 YAP1 (0.51) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7341444 0.92 YAP1 (0.51) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7341442 0.92 YAP1 (0.51) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7339983 0.87 CTSS (0.59) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7345840 0.85 IL1RN (0.53) RENYAP1IL1RNERAP2ERAP1
SCHEMBL7371480 0.83 YAP1 (0.53) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7371474 0.83 YAP1 (0.53) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7336248 0.82 BCL2 (0.51) RENYAP1IL1RNERAP2ERAP1

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