Sugi Predict

Sugi Predict / Compounds / SCHEMBL19974588

SCHEMBL19974588

SCHEMBL19974588

O=C(CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 15/20 0.68
▸ CCR2 P41597 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NAALAD2 Q9Y3Q0 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL21359119 0.92 YAP1 (0.64) YAP1CCR2POLB
SCHEMBL28499424 0.92 YAP1 (0.64) YAP1CCR2POLB
SCHEMBL19982266 0.90 YAP1 (0.79) YAP1
SCHEMBL30117577 0.90 YAP1 (0.79) YAP1
SCHEMBL23296268 0.88 YAP1 (0.87) YAP1
SCHEMBL19974548 0.88 YAP1 (0.87) YAP1
SCHEMBL21366295 0.87 YAP1 (0.63) YAP1CCR2POLB
SCHEMBL21359002 0.87 YAP1 (0.63) YAP1CCR2POLB
SCHEMBL21359034 0.87 YAP1 (0.63) YAP1CCR2POLB
SCHEMBL28499426 0.87 YAP1 (0.63) YAP1CCR2POLB

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