SCHEMBL21366435

SCHEMBL21366435

CCOc1ccc(CCC(=O)N2CCC(CC(=O)NC(Cc3ccc(F)cc3)C(=O)OC)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.82
ACACB O00763 1/20 0.47
IL2RA P01589 1/20 0.44
ALB P02768 1/20 0.44
IL2 P60568 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
SCHEMBL21366274 1.00 YAP1 (0.82) YAP1ACACBIL2RAALBIL2
SCHEMBL21366434 0.93 YAP1 (0.83) YAP1ACACB
SCHEMBL21366277 0.93 YAP1 (0.83) YAP1ACACB
SCHEMBL21359046 0.92 YAP1 (0.74) YAP1ACACB
SCHEMBL21366279 0.92 YAP1 (0.82) YAP1ACACBIL2RAALBIL2
SCHEMBL21366292 0.92 YAP1 (0.82) YAP1ACACBIL2RAALBIL2
SCHEMBL21366139 0.92 YAP1 (0.74) YAP1ACACB
SCHEMBL21366358 0.92 YAP1 (0.83) YAP1ACACB
SCHEMBL21366275 0.92 YAP1 (0.81) YAP1ACACBIL2RAALBIL2
SCHEMBL21366278 0.92 YAP1 (0.81) YAP1ACACBIL2RA

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
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 WO disclosed