SCHEMBL20734860

SCHEMBL20734860

COc1ccc(CC2NC(=O)C=C2OCc2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
MAOB P27338 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
APP P05067 4/20 0.42
KMT2A Q03164 1/20 0.40
SSTR3 P32745 1/20 0.39
MAOA P21397 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL20734861 1.00 FFAR1 (0.44) FFAR1MAOBRXFP1APPKMT2A
SCHEMBL20734910 0.89 MMP1 (0.48) MAOBKMT2AHTT
SCHEMBL20734933 0.86 NPSR1 (0.40) MAOBRXFP1KMT2AMAOANPSR1
SCHEMBL20735047 0.86 NPSR1 (0.40) MAOBRXFP1KMT2AMAOANPSR1
SCHEMBL20734814 0.86 HPGD (0.40) MAOBAPPKMT2AGLANPSR1
SCHEMBL24333180 0.85 HTT (0.41) FFAR1APPKMT2AGLANPSR1
SCHEMBL20734875 0.85 ALDH1A1 (0.41) FFAR1APPKMT2AALDH1A1MAPT
SCHEMBL20734813 0.85 ALDH1A1 (0.41) FFAR1APPKMT2AALDH1A1MAPT
SCHEMBL20734815 0.79 MAOB (0.36) MAOBAPPKMT2AMAOA
SCHEMBL20734816 0.79 MAOB (0.36) MAOBAPPKMT2AMAOA

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
WO-2019029274-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR 北京卓凯生物技术有限公司 2019-02-14 WO disclosed
WO-2019029273-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京卓凯生物技术有限公司 2019-02-14 WO disclosed