SCHEMBL19974620

SCHEMBL19974620

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NC1CCN(C(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 15/20 0.63
GAA P10253 1/20 0.57
PPARG P37231 1/20 0.54
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
SCHEMBL19974621 1.00 YAP1 (0.63) YAP1GAAPPARGTSHRCYP3A4
SCHEMBL25922266 0.91 YAP1 (0.58) YAP1GAAPPARGTSHRCYP3A4
SCHEMBL19982286 0.90 YAP1 (0.76) YAP1GAAPPARGTSHR
SCHEMBL19982265 0.89 YAP1 (0.76) YAP1GAA
SCHEMBL19982204 0.87 YAP1 (0.58) YAP1GAAPPARG
Hydrochloric Acid SCHEMBL30117583 0.87 YAP1 (0.57) YAP1GAAPPARG
SCHEMBL19982169 0.85 YAP1 (0.81) YAP1GAAPPARGTSHR
SCHEMBL19982206 0.85 YAP1 (0.78) YAP1GAAPPARGTSHR
SCHEMBL23296237 0.81 YAP1 (0.75) YAP1PPARG
SCHEMBL19982274 0.81 YAP1 (0.75) YAP1PPARG

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