SCHEMBL28501595

SCHEMBL28501595

O=C(CC1CCN(C(=O)CCc2ccncc2)CC1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.90
GPR132 Q9UNW8 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
GPR34 Q9UPC5 1/20 0.49

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
SCHEMBL21359107 1.00 YAP1 (0.90) YAP1GPR132ITGB3ITGA2BGPR34
SCHEMBL28493245 0.96 YAP1 (0.86) YAP1GPR34
SCHEMBL21359089 0.96 YAP1 (0.86) YAP1GPR34
SCHEMBL23296225 0.95 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL19974592 0.95 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL19982108 0.95 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL21358984 0.93 YAP1 (0.81) YAP1GPR34
SCHEMBL28490544 0.93 YAP1 (0.81) YAP1GPR34
SCHEMBL21366286 0.93 YAP1 (0.91) YAP1
SCHEMBL24043544 0.93 YAP1 (0.91) YAP1

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
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