SCHEMBL19975552

SCHEMBL19975552

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

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.70
PPARG P37231 1/20 0.52
GPR34 Q9UPC5 1/20 0.48

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
SCHEMBL19975554 1.00 YAP1 (0.70) YAP1PPARGGPR34
SCHEMBL28303105 0.90 YAP1 (0.87) YAP1PPARG
SCHEMBL19974539 0.90 YAP1 (0.87) YAP1PPARG
SCHEMBL19974625 0.89 YAP1 (0.69) YAP1GPR34
SCHEMBL19974624 0.89 YAP1 (0.69) YAP1GPR34
SCHEMBL19982181 0.89 YAP1 (0.87) YAP1PPARG
SCHEMBL19976374 0.88 YAP1 (0.71) YAP1
SCHEMBL19976373 0.88 YAP1 (0.71) YAP1
SCHEMBL19975511 0.86 YAP1 (0.83) YAP1
SCHEMBL19975509 0.86 YAP1 (0.83) 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 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