SCHEMBL7764410

SCHEMBL7764410

OC(c1ccc(OCc2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10992484 0.84 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL26933122 0.83 KMT2A (0.56) LMNACYP4F2CYP4A11NR4A2MAOB
SCHEMBL29890396 0.83 KMT2A (0.56) LMNACYP4F2CYP4A11NR4A2MAOB
SCHEMBL8761083 0.81 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3239740 0.81 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11606393 0.81 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL477506 0.80 LMNA (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11606605 0.80 LMNA (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL18806066 0.79 FFAR1 (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15499831 0.78 LMNA (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 WO disclosed