SCHEMBL2725968

SCHEMBL2725968

C=CC(=O)NC(C)(Cl)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
RECQL P46063 2/20 0.42
CYP1A2 P05177 1/20 0.42
TGM2 P21980 2/20 0.42
MAPK1 P28482 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP8 P22894 4/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL7209012 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL27914028 0.81 CYP3A4 (0.72) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL17911429 0.81 CYP3A4 (0.72) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL25390399 0.75 ALDH1A1 (0.63) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL25390401 0.75 ALDH1A1 (0.63) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL21073983 0.75 CYP3A4 (0.62) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL8497636 0.75 ALDH1A1 (0.62) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL30780840 0.74 ALDH1A1 (0.61) CYP3A4ALDH1A1CYP2C9CYP2C19TGM2
SCHEMBL10594826 0.72 CYP2C19 (0.59) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL
SCHEMBL30758297 0.72 CYP2C19 (0.59) CYP3A4ALDH1A1CYP2C9CYP2C19RECQL

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
WO-2013162902-A1 SYNERGISTIC COMBINATION OF A FLUID LOSS ADDITIVE AND RHEOLOGY MODIFIER ISP INVESTMENTS INC (US) 2013-10-31 WO disclosed
WO-2013138156-A1 SYNTHESIS AND APPLICATION OF HIGH PRESSURE HIGH TEMPERATURE FLUID LOSS ADDITIVE AND RHEOLOGY STABILIZER ISP INVESTMENTS INC. (US) 2013-09-19 WO disclosed
WO-2012061147-A1 SALT-TOLERANT, THERMALLY-STABLE RHEOLOGY MODIFIERS ISP INVESTMENTS INC. (US) 2012-05-10 WO disclosed