SCHEMBL17865302

SCHEMBL17865302

C/N=C(\c1ccc(C(C)=O)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
MAPT P10636 5/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 3/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL10150741 0.87 GAA (0.50) LMNAALDH1A1GAAALOX15HSD17B10
SCHEMBL12770212 0.77 CES1 (0.46) RAB9ALMNAKMT2AALDH1A1GAA
SCHEMBL10150694 0.77 CES1 (0.46) RAB9ALMNAKMT2AALDH1A1GAA
SCHEMBL10239161 0.76 HPGD (0.42) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL12994634 0.76 HPGD (0.42) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL10138310 0.74 ALDH1A1 (0.47) MAPTHPGDLMNAALDH1A1GAA
SCHEMBL10233426 0.74 ALDH1A1 (0.47) MAPTHPGDLMNAALDH1A1GAA
SCHEMBL10150704 0.74 SMN1; SMN2 (0.44) MAPTRAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL16715932 0.74 ALDH1A1 (0.35) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL50646 0.72 MAPT (0.68) NOS3NOS1MAPTRAB9AHPGD

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-2016096897-A1 COSMETIC METHOD FOR CONTROLLING ODORS L'OREAL (FR) 2016-06-23 WO disclosed