SCHEMBL21358882

SCHEMBL21358882

CCOc1ccc(CCC(=O)N2CCC(CC(=O)NC(CO)Cc3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.78
LTA4H P09960 2/20 0.46
ACACB O00763 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
SCHEMBL21366283 1.00 YAP1 (0.78) YAP1LTA4HACACB
SCHEMBL21366370 0.96 YAP1 (0.79) YAP1LTA4H
SCHEMBL23296255 0.89 YAP1 (0.92) YAP1
SCHEMBL19974560 0.89 YAP1 (0.92) YAP1
SCHEMBL21358997 0.88 YAP1 (0.70) YAP1
SCHEMBL21366282 0.88 YAP1 (0.70) YAP1
SCHEMBL19982223 0.88 YAP1 (1.00) YAP1
SCHEMBL21366368 0.87 YAP1 (0.69) YAP1
SCHEMBL21359144 0.87 YAP1 (0.69) YAP1
SCHEMBL22929134 0.87 YAP1 (0.76) YAP1LTA4HACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765015-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center & Research Institute, Inc. (US) 2021-01-20 EP disclosed
CN-111989100-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2020-11-24 CN disclosed
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