SCHEMBL21366436

SCHEMBL21366436

CCOc1ccc(CCC(=O)N2CCC(CC(=O)NC(Cc3ccc(C#N)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.74
ACACB O00763 1/20 0.51
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 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
SCHEMBL21358971 1.00 YAP1 (0.74) YAP1ACACBITGB3ITGA2B
SCHEMBL21366138 0.93 YAP1 (0.83) YAP1ACACB
SCHEMBL21366132 0.93 YAP1 (0.83) YAP1ACACB
SCHEMBL23296224 0.92 YAP1 (0.75) YAP1ITGB3ITGA2B
SCHEMBL19974553 0.92 YAP1 (0.75) YAP1ITGB3ITGA2B
SCHEMBL21366485 0.91 YAP1 (0.75) YAP1ACACBITGB3ITGA2B
SCHEMBL21366291 0.91 YAP1 (0.75) YAP1ACACB
SCHEMBL21359060 0.91 YAP1 (0.75) YAP1ACACB
SCHEMBL21358892 0.91 YAP1 (0.75) YAP1ACACBITGB3ITGA2B
SCHEMBL23296229 0.90 YAP1 (0.89) YAP1ITGB3ITGA2B

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
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