Sugi Predict

Sugi Predict / Compounds / SCHEMBL21366366

SCHEMBL21366366

SCHEMBL21366366

COC(=O)C(Cc1ccc(C)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(F)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 15/20 0.71
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ IL2RA P01589 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ IL2 P60568 1/20 0.44

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
SCHEMBL30465113 1.00 YAP1 (0.71) YAP1ALDH1A1LMNAGAAKMT2A
SCHEMBL21366135 1.00 YAP1 (0.71) YAP1ALDH1A1LMNAGAAKMT2A
SCHEMBL21366364 0.95 YAP1 (0.77) YAP1GAAKMT2AIL2RA
SCHEMBL21366363 0.95 YAP1 (0.77) YAP1GAAKMT2AIL2RA
SCHEMBL21366484 0.92 YAP1 (0.73) YAP1GAAKMT2A
SCHEMBL21366531 0.92 YAP1 (0.69) YAP1GAAKMT2AIL2RAALB
SCHEMBL21366483 0.92 YAP1 (0.73) YAP1GAAKMT2A
SCHEMBL21366130 0.92 YAP1 (0.69) YAP1GAAKMT2AIL2RAALB
SCHEMBL21366133 0.92 YAP1 (0.69) YAP1GAAKMT2AIL2RAALB
SCHEMBL30465122 0.92 YAP1 (0.69) YAP1GAAKMT2AIL2RAALB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 — — WO disclosed