SCHEMBL19975459

SCHEMBL19975459

C=CC(=O)N1CCC(CC(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.75
GPR34 Q9UPC5 1/20 0.53
POLB P06746 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
SCHEMBL19982137 0.92 YAP1 (0.78) YAP1PPARG
SCHEMBL19982250 0.92 YAP1 (0.78) YAP1PPARG
SCHEMBL19975559 0.88 YAP1 (0.79) YAP1GPR34POLBPPARG
SCHEMBL23296240 0.87 YAP1 (0.85) YAP1GPR34POLB
SCHEMBL22929160 0.87 YAP1 (0.85) YAP1GPR34POLB
SCHEMBL19974549 0.87 YAP1 (0.85) YAP1GPR34POLB
SCHEMBL19974550 0.85 YAP1 (0.81) YAP1GPR34POLBPPARG
SCHEMBL19982108 0.85 YAP1 (1.00) YAP1GPR34POLB
SCHEMBL23296225 0.85 YAP1 (1.00) YAP1GPR34POLB
SCHEMBL19974592 0.85 YAP1 (1.00) YAP1GPR34POLB

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