SCHEMBL28304263

SCHEMBL28304263

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

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.70
GPR34 Q9UPC5 3/20 0.54

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
SCHEMBL19975559 0.85 YAP1 (0.79) YAP1GPR34
SCHEMBL19974550 0.84 YAP1 (0.81) YAP1GPR34
SCHEMBL19974549 0.84 YAP1 (0.85) YAP1GPR34
SCHEMBL22929160 0.84 YAP1 (0.85) YAP1GPR34
SCHEMBL23296240 0.84 YAP1 (0.85) YAP1GPR34
SCHEMBL28304277 0.83 YAP1 (0.70) YAP1GPR34
SCHEMBL28304269 0.83 YAP1 (0.71) YAP1GPR34
SCHEMBL19982108 0.83 YAP1 (1.00) YAP1GPR34
SCHEMBL23296225 0.83 YAP1 (1.00) YAP1GPR34
SCHEMBL19975459 0.83 YAP1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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