SCHEMBL9328578

SCHEMBL9328578

C=CC(=O)c1ccc(OC)cc1F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
ALOX12 P18054 1/20 0.58
CPS1 P31327 12/20 0.58
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSL P07711 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL15226106 0.82 CPS1 (0.61) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL9325799 0.82 KDM4E (0.49) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL3311002 0.81 MEN1 (0.53) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL3310996 0.81 MEN1 (0.53) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL3310998 0.81 MEN1 (0.53) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL25223207 0.81 NPC1 (0.68) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL14306014 0.81 ABCG2 (0.67) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL29639738 0.80 ALDH1A1 (0.65) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL1051747 0.80 CPS1 (0.63) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL531399 0.80 ALDH1A1 (0.65) HPGDMEN1LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed
EP-0361157-B1 Phenyl pyridines HOFFMANN LA ROCHE (CH) 1994-03-02 EP disclosed
US-5284956-A Liquid crystalline mixtures containing 2-(2-fluorophenyl) pyridines HOFFMANN-LA ROCHE INC. (US) 1994-02-08 US disclosed
EP-0361157-A1 Phenyl pyridines F. HOFFMANN-LA ROCHE AG (CH) 1990-04-04 EP disclosed