SCHEMBL19974538

SCHEMBL19974538

N#Cc1ccc(CCC(=O)N2CCC(NC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 15/20 0.67
GPR34 Q9UPC5 2/20 0.50
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PPARG P37231 1/20 0.44

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
SCHEMBL19982274 0.94 YAP1 (0.75) YAP1GPR34ITGB3ITGA2BPPARG
SCHEMBL23296237 0.94 YAP1 (0.75) YAP1GPR34ITGB3ITGA2BPPARG
SCHEMBL19982206 0.93 YAP1 (0.78) YAP1PPARG
SCHEMBL23296256 0.87 YAP1 (0.69) YAP1GPR34
SCHEMBL23296229 0.87 YAP1 (0.89) YAP1GPR34ITGB3ITGA2B
SCHEMBL19974600 0.87 YAP1 (0.89) YAP1GPR34ITGB3ITGA2B
SCHEMBL19982286 0.87 YAP1 (0.76) YAP1PPARG
SCHEMBL23296225 0.81 YAP1 (1.00) YAP1GPR34ITGB3ITGA2B
SCHEMBL19982108 0.81 YAP1 (1.00) YAP1GPR34ITGB3ITGA2B
SCHEMBL19974592 0.81 YAP1 (1.00) YAP1GPR34ITGB3ITGA2B

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
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
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