SCHEMBL19974547

SCHEMBL19974547

N#C[C@@H](CNC(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.54
ALOX5 P09917 1/20 0.49
MAOB P27338 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
GUSB P08236 1/20 0.47
HRAS P01112 1/20 0.46

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
SCHEMBL6387864 0.82 ROCK2 (0.44) CTSLCTSS
SCHEMBL20425199 0.81 NR4A1 (0.53) FFAR1ALOX5MAOBNR4A1NR4A2
SCHEMBL9537619 0.78 GSK3B (0.49) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL10772200 0.77 FFAR1 (0.59) FFAR1
SCHEMBL3499841 0.75 CTSC (0.59) FFAR1MAOBCTSLCTSS
SCHEMBL30771219 0.75 LTA4H (0.54) FFAR1ALOX5MAOBNR4A1NR4A2
SCHEMBL6386461 0.75 MAOB (0.57) FFAR1MAOB
SCHEMBL3657890 0.75 ESR1 (0.37) CTSLCTSS
SCHEMBL12494760 0.75 CTSK (0.47) CTSLCTSS
SCHEMBL20425137 0.75 PPARG (0.59) FFAR1MAOBNR4A1NR4A2NR4A3

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