SCHEMBL19982137

SCHEMBL19982137

C=CC(=O)N1CCC(CC(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.78
GAA P10253 1/20 0.52
PPARG P37231 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
SCHEMBL19982250 1.00 YAP1 (0.78) YAP1GAAPPARG
SCHEMBL19975459 0.92 YAP1 (0.75) YAP1PPARG
SCHEMBL19982135 0.89 YAP1 (0.83) YAP1GAAPPARG
SCHEMBL19982139 0.89 YAP1 (0.84) YAP1GAA
SCHEMBL19982134 0.88 YAP1 (1.00) YAP1GAAPPARG
SCHEMBL19982068 0.88 YAP1 (1.00) YAP1GAAPPARG
SCHEMBL19982081 0.87 YAP1 (0.80) YAP1GAAPPARG
SCHEMBL19982227 0.87 YAP1 (0.81) YAP1GAAPPARG
SCHEMBL19982275 0.86 YAP1 (0.74) YAP1GAA
SCHEMBL24043545 0.86 YAP1 (1.00) YAP1GAAPPARG

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