SCHEMBL19974551

SCHEMBL19974551

N#Cc1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.69
POLB P06746 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL19982110 0.90 YAP1 (0.81) YAP1
SCHEMBL19982111 0.90 YAP1 (0.81) YAP1
SCHEMBL19974553 0.90 YAP1 (0.75) YAP1ITGB3ITGA2B
SCHEMBL23296224 0.90 YAP1 (0.75) YAP1ITGB3ITGA2B
SCHEMBL19974600 0.89 YAP1 (0.89) YAP1ITGB3ITGA2B
SCHEMBL23296229 0.89 YAP1 (0.89) YAP1ITGB3ITGA2B
SCHEMBL21366436 0.89 YAP1 (0.74) YAP1ITGB3ITGA2B
SCHEMBL21358971 0.89 YAP1 (0.74) YAP1ITGB3ITGA2B
SCHEMBL21359045 0.87 YAP1 (0.65) YAP1POLBITGB3ITGA2B
SCHEMBL21366294 0.87 YAP1 (0.65) YAP1POLBITGB3ITGA2B

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