SCHEMBL8637475

SCHEMBL8637475

O=C(CC(=O)C(F)(F)N1CCOCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 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
SCHEMBL7776736 0.74 SMN1; SMN2 (0.58) MAPTKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL30441322 0.74 ALDH1A1 (0.54) MAPTKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL25803089 0.73 GSK3B (0.67) MAPTKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL523476 0.72 PLOD2 (0.69) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL3543531 0.72 SMN1; SMN2 (0.63) MAPTKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9630807 0.71 PLOD2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL9565951 0.71 PLOD2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL10613054 0.71 PLOD2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL9654173 0.71 PLOD2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL30846025 0.71 PLOD2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1

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
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed