SCHEMBL19974543

SCHEMBL19974543

O=C(CC1CCN(C(=O)c2ccncc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.77
GPR132 Q9UNW8 2/20 0.54
GPR34 Q9UPC5 1/20 0.52

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
SCHEMBL19982226 0.92 YAP1 (0.90) YAP1
SCHEMBL28501595 0.88 YAP1 (0.90) YAP1GPR132GPR34
SCHEMBL21359107 0.88 YAP1 (0.90) YAP1GPR132GPR34
SCHEMBL19982134 0.87 YAP1 (1.00) YAP1
SCHEMBL19975559 0.86 YAP1 (0.79) YAP1GPR34
SCHEMBL28493245 0.86 YAP1 (0.86) YAP1GPR34
SCHEMBL21359089 0.86 YAP1 (0.86) YAP1GPR34
SCHEMBL22929149 0.86 YAP1 (0.76) YAP1
SCHEMBL23296240 0.85 YAP1 (0.85) YAP1GPR34
SCHEMBL22929160 0.85 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 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