SCHEMBL12334266

SCHEMBL12334266

Cc1ccccc1C(=O)Nc1ccc(C(C)(O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.60
▸ SMN1; SMN2 Q16637 7/20 0.60
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ THRB P10828 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TYK2 P29597 1/20 0.55
▸ RORC P51449 1/20 0.54
▸ FFAR1 O14842 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KCNJ11 Q14654 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ KCNK3 O14649 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.51

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
SCHEMBL31078214 0.87 RORC (0.71) HPGDSMN1; SMN2NPC1RAB9ATHRB
SCHEMBL12334059 0.86 MEN1 (0.67) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL12334640 0.85 MEN1 (0.59) SMN1; SMN2NPC1RAB9ARORCRXFP1
SCHEMBL12334263 0.85 RORC (0.53) SMN1; SMN2NPC1RAB9ARORCLMNA
SCHEMBL12334247 0.84 RAB9A (0.48) SMN1; SMN2NPC1RAB9ATYK2RORC
SCHEMBL21652185 0.84 SMN1; SMN2 (0.74) HPGDSMN1; SMN2NPC1RAB9ATHRB
SCHEMBL12334253 0.83 MEN1 (0.47) MEN1KMT2AHSD11B1
SCHEMBL12334244 0.82 TRPV1 (0.50) SMN1; SMN2NPC1RAB9ATHRBTP53
SCHEMBL12334679 0.80 RAB9A (0.56) NPC1RAB9ATYK2MAPTGAA
SCHEMBL15257990 0.80 SMN1; SMN2 (0.82) HPGDSMN1; SMN2NPC1RAB9ATHRB

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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