SCHEMBL19974625

SCHEMBL19974625

CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.69
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
POLB P06746 1/20 0.48
GPR34 Q9UPC5 1/20 0.47

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
SCHEMBL19974624 1.00 YAP1 (0.69) YAP1MMP9MMP8POLBGPR34
SCHEMBL19982070 0.90 YAP1 (0.84) YAP1MMP9MMP8
SCHEMBL19976374 0.90 YAP1 (0.71) YAP1
SCHEMBL19976373 0.90 YAP1 (0.71) YAP1
SCHEMBL19982062 0.90 YAP1 (0.86) YAP1MMP9MMP8
SCHEMBL19975554 0.89 YAP1 (0.70) YAP1GPR34
SCHEMBL19975552 0.89 YAP1 (0.70) YAP1GPR34
SCHEMBL19975509 0.88 YAP1 (0.83) YAP1
SCHEMBL19975511 0.88 YAP1 (0.83) YAP1
SCHEMBL19975444 0.88 YAP1 (0.79) 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