SCHEMBL14944146

SCHEMBL14944146

O=C(CCI)NCc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
EGLN1 Q9GZT9 5/20 0.38
TP53 P04637 3/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
ELANE P08246 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35

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
SCHEMBL2263963 0.90 L3MBTL1 (0.43) NPC1RAB9AEPHX2PPARGEGLN1
SCHEMBL2266775 0.89 ALDH1A1 (0.44) NPC1RAB9AEPHX2PPARGCNR1
SCHEMBL2266394 0.88 MTNR1A (0.43) NPC1RAB9AEPHX2PPARGTP53
SCHEMBL2263299 0.85 CNR1 (0.42) NPC1RAB9AEPHX2PPARGEGLN1
SCHEMBL2262250 0.85 EPHX2 (0.48) EPHX2PPARGPOLBRXFP1GRIA1
SCHEMBL2263399 0.83 PPARG (0.41) EPHX2PPARGCNR1ITGB1ITGA4
SCHEMBL12390328 0.82 CNR1 (0.44) RAB9AEPHX2PPARGEGLN1CNR1
SCHEMBL2263570 0.81 TP53 (0.43) EPHX2PPARGTP53CNR1ITGB1
SCHEMBL12366594 0.77 CNR1 (0.45) RAB9APPARGCNR1RXFP1ITGB1
SCHEMBL12390365 0.77 TP53 (0.40) NPC1RAB9ATP53MAPT

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
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed