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SCHEMBL14944178

SCHEMBL14944178

Cc1ccc(Cn2c(-c3ccccc3)cc(C(F)(F)F)c(CNC(=O)c3ccccc3)c2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PPARG P37231 3/20 0.40
▸ CCR2 P41597 9/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KLKB1 P03952 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
SCHEMBL12390431 0.93 NPC1 (0.42) ALDH1A1PPARGCCR2NPC1RAB9A
SCHEMBL12390365 0.88 TP53 (0.40) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL12390337 0.86 NR1H2 (0.39) ALDH1A1HPGDPPARGNPC1RAB9A
SCHEMBL2262250 0.85 EPHX2 (0.48) EPHX2PPARG
SCHEMBL14944243 0.84 PPARG (0.46) EPHX2PPARG
SCHEMBL12366588 0.83 NR1H2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2263835 0.82 NR1H2 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2263564 0.81 NR1H2 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2387196 0.77 NR1H2 (0.57) EPHX2PPARGCCR2
SCHEMBL2263811 0.77 NR1H2 (0.59) ALDH1A1HPGDPPARG

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