SCHEMBL11354413

SCHEMBL11354413

O=C(Cl)c1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 6/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
CTNNB1 P35222 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
SERPINE1 P05121 1/20 0.48
POLB P06746 1/20 0.47
PARG Q86W56 1/20 0.47

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
SCHEMBL22891351 0.88 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL28949682 0.85 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL9948495 0.85 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL12505440 0.85 CTNNB1 (0.65) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL28949684 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL645199 0.80 CTNNB1 (0.67) L3MBTL1LMNANPSR1SMN1; SMN2HTT
SCHEMBL11492323 0.80 MEN1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11577659 0.79 GAA (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1MRGPRX4
SCHEMBL4445314 0.79 MRGPRX4 (0.60) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL22868028 0.78 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4278680-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4221815-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-09 US disclosed
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US disclosed