SCHEMBL12334247

SCHEMBL12334247

Cc1cccc(C)c1C(=O)Nc1ccc(C(C)(O)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD11B1 P28845 3/20 0.48
▸ TRPV1 Q8NER1 4/20 0.46
▸ PDK1 Q15118 2/20 0.46
▸ PDK2 Q15119 2/20 0.46
▸ PDK3 Q15120 2/20 0.46
▸ PDK4 Q16654 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ RORC P51449 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ F2R P25116 1/20 0.44
▸ ABCC9 O60706 1/20 0.42

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
SCHEMBL12334679 0.92 RAB9A (0.56) RAB9AMAPTGAANPSR1HSD11B1
SCHEMBL12334246 0.86 RAB9A (0.61) RAB9AMAPTGAANPSR1HSD11B1
SCHEMBL12334671 0.85 TRPV1 (0.46) RAB9AMAPTGAANPSR1HSD11B1
SCHEMBL12334266 0.84 HPGD (0.60) RAB9AMAPTGAANPSR1HSD11B1
SCHEMBL19180948 0.80 PDK1 (0.54) RAB9AMAPTNPSR1HSD11B1TRPV1
SCHEMBL20956394 0.80 PDK1 (0.54) RAB9AMAPTNPSR1HSD11B1TRPV1
SCHEMBL3419156 0.80 PDK1 (0.54) RAB9AMAPTNPSR1HSD11B1TRPV1
SCHEMBL12334262 0.78 TRPV1 (0.74) RAB9AMAPTNPSR1TRPV1NPC1
SCHEMBL21047664 0.77 SMN1; SMN2 (0.72) RAB9AMAPTHSD11B1PDK1PDK2
SCHEMBL12334059 0.76 MEN1 (0.67) RAB9AMAPTNPC1MEN1HTT

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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