SCHEMBL19982079

SCHEMBL19982079

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)C2CCCN2C)CC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.73
IL2RA P01589 1/20 0.51
ALB P02768 1/20 0.51
IL2 P60568 1/20 0.51
GAA P10253 1/20 0.49

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
SCHEMBL19982177 0.93 YAP1 (0.60) YAP1IL2RAALBIL2GAA
SCHEMBL19982078 0.91 YAP1 (0.72) YAP1IL2RAALBIL2
SCHEMBL19982077 0.88 YAP1 (0.55) YAP1IL2RAALBIL2GAA
SCHEMBL19982135 0.86 YAP1 (0.83) YAP1IL2RAGAA
SCHEMBL19982081 0.86 YAP1 (0.80) YAP1GAA
SCHEMBL19982139 0.86 YAP1 (0.84) YAP1IL2RAALBIL2GAA
SCHEMBL19982068 0.85 YAP1 (1.00) YAP1IL2RAGAA
SCHEMBL19982134 0.85 YAP1 (1.00) YAP1IL2RAGAA
SCHEMBL19982227 0.84 YAP1 (0.81) YAP1GAA
SCHEMBL24043545 0.83 YAP1 (1.00) YAP1IL2RAGAA

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
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