SCHEMBL19974586

SCHEMBL19974586

O=C(CC1CCN(S(=O)(=O)Cc2ccccc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.69
GPR34 Q9UPC5 3/20 0.53

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
SCHEMBL28303027 1.00 YAP1 (0.69) YAP1GPR34
SCHEMBL19982262 0.92 YAP1 (0.73) YAP1
SCHEMBL19975538 0.91 YAP1 (0.72) YAP1GPR34
SCHEMBL28304269 0.90 YAP1 (0.71) YAP1GPR34
SCHEMBL28304277 0.90 YAP1 (0.70) YAP1GPR34
SCHEMBL19975559 0.84 YAP1 (0.79) YAP1GPR34
SCHEMBL19974555 0.84 YAP1 (0.62) YAP1
SCHEMBL23296239 0.84 YAP1 (0.73) YAP1
SCHEMBL19982090 0.84 YAP1 (0.73) YAP1
SCHEMBL22929160 0.83 YAP1 (0.85) YAP1GPR34

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-3512839-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2019-07-24 EP disclosed
CN-109843866-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2019-06-04 CN disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 WO disclosed