Sugi Predict

Sugi Predict / Compounds / SCHEMBL19974570

SCHEMBL19974570

SCHEMBL19974570

CC(C)c1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 17/20 0.89
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ GPR34 Q9UPC5 2/20 0.48

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
SCHEMBL19982108 0.94 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL23296225 0.94 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL19974592 0.94 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL19982277 0.94 YAP1 (0.91) YAP1
SCHEMBL19975539 0.92 YAP1 (0.92) YAP1ITGB3ITGA2BGPR34
SCHEMBL23296265 0.92 YAP1 (0.92) YAP1GPR34
SCHEMBL19974560 0.92 YAP1 (0.92) YAP1ITGB3ITGA2BGPR34
SCHEMBL23296255 0.92 YAP1 (0.92) YAP1ITGB3ITGA2BGPR34
SCHEMBL19982245 0.92 YAP1 (0.92) YAP1GPR34
SCHEMBL23296248 0.90 YAP1 (0.92) YAP1GPR34

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