SCHEMBL12835495

SCHEMBL12835495

CCCCCCCCCCCCCCCCOc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 12/20 0.56
▸ GAA P10253 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ S1PR1 P21453 2/20 0.54
▸ S1PR3 Q99500 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RECQL P46063 1/20 0.53

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
SCHEMBL12189571 1.00 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189643 1.00 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189455 0.84 DGAT1 (0.48) FAAHNR1H4
SCHEMBL12189554 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12835024 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189645 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189568 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12835052 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189542 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189418 0.82 SMN1; SMN2 (0.58) GAAS1PR1S1PR3NR1H4HTT

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-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 — — WO disclosed
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