SCHEMBL19976384

SCHEMBL19976384

COC(=O)C(Cc1ccccc1)NC(=O)CC1CCN(C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 13/20 0.69
GAA P10253 1/20 0.64
IL2RA P01589 1/20 0.56
ALB P02768 1/20 0.56
IL2 P60568 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 1/20 0.55
GFER P55789 1/20 0.55

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
SCHEMBL19976383 1.00 YAP1 (0.69) YAP1GAAIL2RAALBIL2
SCHEMBL19974618 0.91 YAP1 (0.65) YAP1GAAIL2RAALBIL2
SCHEMBL19974617 0.91 YAP1 (0.65) YAP1GAAIL2RAALBIL2
SCHEMBL19982213 0.87 YAP1 (0.85) YAP1GAAPOLB
SCHEMBL19982212 0.87 YAP1 (0.85) YAP1GAAPOLB
SCHEMBL19982177 0.85 YAP1 (0.60) YAP1GAAIL2RAALBIL2
SCHEMBL19982135 0.84 YAP1 (0.83) YAP1GAAIL2RA
SCHEMBL19982184 0.84 YAP1 (0.84) YAP1GAAIL2RA
SCHEMBL19982179 0.84 YAP1 (0.59) YAP1GAAIL2RAALBIL2
SCHEMBL19982251 0.84 YAP1 (0.84) YAP1GAAIL2RA

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