SCHEMBL6259089

SCHEMBL6259089

O=C(O)COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.52
LRRK2 Q5S007 3/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
SRPK3 Q9UPE1 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6805247 0.89 MTTP (0.49) GAAPTGDR2RAB9ANPC1TNF
SCHEMBL7086871 0.84 HTR2C (0.49) GAALRRK2RAB9ASRPK3
SCHEMBL7083646 0.83 GAA (0.49) GAALRRK2RAB9ANPC1MAPT
SCHEMBL6924381 0.81 GAA (0.45) GAALRRK2RAB9ANPC1SRPK3
SCHEMBL7086631 0.77 NPC1 (0.54) RAB9ANPC1
SCHEMBL6256948 0.77 CXCR1 (0.54) GAARAB9ANPC1MAPTTNF
SCHEMBL7133291 0.76 NPC1 (0.56) RAB9ANPC1
SCHEMBL6792746 0.76 PTGS1 (0.57) RAB9ANPC1
SCHEMBL7086952 0.76 PLG (0.53) LRRK2RAB9ANPC1
SCHEMBL7079790 0.76 S1PR1 (0.51) RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578725-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056777-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed