SCHEMBL12334579

SCHEMBL12334579

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.59
▸ RORC P51449 2/20 0.58
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GPR27 Q9NS67 2/20 0.52
▸ AVPR2 P30518 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KLK7 P49862 1/20 0.47

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
SCHEMBL12334376 0.89 RORC (0.65) RORCNPC1RAB9ASMN1; SMN2GPR27
SCHEMBL12334252 0.86 SNCA (0.56) SNCANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12334654 0.86 RORC (0.70) RORCNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12334377 0.86 RORC (0.58) SNCARORCMAPTSMN1; SMN2GPR27
SCHEMBL12334586 0.83 RORC (0.72) RORCNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5314331 0.81 RORC (0.79) SNCARORCNPC1RAB9AMAPT
SCHEMBL27964618 0.78 SNCA (0.67) SNCANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL677811 0.78 SNCA (0.67) SNCANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31078087 0.78 RORC (0.65) RORCNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6544935 0.77 GPR27 (0.72) SNCANPC1RAB9AMAPTSMN1; SMN2

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-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 — — WO disclosed
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