SCHEMBL7347273

SCHEMBL7347273

CC(C)(C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)N1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.53
CACNA1B Q00975 9/20 0.51
ACE P12821 2/20 0.48
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
PSMB5 P28074 2/20 0.47
CTSS P25774 1/20 0.45
BCL2 P10415 1/20 0.45

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
SCHEMBL7340535 0.93 CACNA1B (0.53) YAP1CACNA1BACEMMECPA1
SCHEMBL7341833 0.90 CACNA1B (0.62) YAP1CACNA1BACEMMECPA1
SCHEMBL7345947 0.88 CACNA1B (0.49) YAP1CACNA1BACEMMECPA1
SCHEMBL7339047 0.88 YAP1 (0.51) YAP1CACNA1BACEMMECPA1
SCHEMBL7345873 0.86 YAP1 (0.60) YAP1CACNA1BACEMMECPA1
SCHEMBL7345875 0.86 YAP1 (0.60) YAP1CACNA1BACEMMECPA1
SCHEMBL7339086 0.86 YAP1 (0.60) YAP1CACNA1BACEMMECPA1
SCHEMBL7339092 0.86 YAP1 (0.60) YAP1CACNA1BACEMMECPA1
SCHEMBL7347662 0.86 YAP1 (0.55) YAP1CACNA1BACEMMECPA1
SCHEMBL7338592 0.83 YAP1 (0.57) YAP1CACNA1BACEMMP9MMP8

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