SCHEMBL3581799

SCHEMBL3581799

CC(C)(C)Oc1ccc(CC(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.51
CNR2 P34972 7/20 0.51
EPHX1 P07099 1/20 0.47
PPARA Q07869 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 3/20 0.43
ACACB O00763 1/20 0.43
ABCB11 O95342 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
OPRK1 P41145 1/20 0.41

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
SCHEMBL3586614 0.87 CNR1 (0.47) CNR1CNR2EPHX1PPARAPPARG
SCHEMBL3942501 0.82 EPHX1 (0.50) CNR1EPHX1CYP1A2MEN1CYP2C19
SCHEMBL2356411 0.78 EPHX1 (0.65) CNR2EPHX1PPARAPPARG
SCHEMBL28108267 0.77 EPHX1 (0.77) CNR1CNR2EPHX1PPARACYP1A2
SCHEMBL21959089 0.77 EPHX1 (0.57) EPHX1PPARACYP1A2CYP3A4CYP2D6
SCHEMBL28108266 0.77 EPHX1 (0.77) CNR1CNR2EPHX1PPARAMEN1
SCHEMBL3578665 0.76 EPHX1 (0.44) CNR1EPHX1PPARAPPARG
SCHEMBL3581268 0.76 EPHX1 (0.48) EPHX1ACACB
SCHEMBL4946470 0.76 PTPN1 (0.52) EPHX1PPARAPPARGACACB
SCHEMBL4946473 0.76 PTPN1 (0.52) EPHX1PPARAPPARGACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed