SCHEMBL3391344

SCHEMBL3391344

O=C(O)C(CCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.57
PPARA Q07869 4/20 0.57
CNR2 P34972 2/20 0.50
CNR1 P21554 2/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.48
UTS2R Q9UKP6 1/20 0.47
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3392694 0.90 PPARG (0.59) PPARGPPARACNR2CNR1CYP2C9
SCHEMBL5264742 0.88 ACP3 (0.53) PPARGPPARACNR2CYP2C19POLB
SCHEMBL396914 0.88 ACP3 (0.53) PPARGPPARACNR2CYP2C19POLB
SCHEMBL605909 0.83 P4HTM (0.56) PPARGPPARACNR2CYP2C9CYP2C19
SCHEMBL10709954 0.83 PPARG (0.47) PPARGPPARACYP2C9CYP2C19KMT2A
SCHEMBL15058103 0.83 MEN1 (0.61) PPARGPPARAKMT2ALMNAHTT
SCHEMBL2170213 0.80 PPARG (0.54) PPARGPPARACNR2CNR1UTS2R
SCHEMBL12811913 0.80 MEN1 (0.46) PPARGPPARACYP2C9CYP2C19POLB
SCHEMBL9145931 0.80 ALDH1A1 (0.56) PPARGPPARACNR2POLBKMT2A
SCHEMBL11282038 0.79 PPARG (0.60) PPARGPPARAKMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO disclosed