SCHEMBL13044619

SCHEMBL13044619

CCC(C)CNC(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
BCAT1 P54687 6/20 0.49
NAMPT P43490 2/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TTR P02766 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 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
SCHEMBL26575703 0.84 BCAT1 (0.53) MCHR1BCAT1NPC1RAB9ALMNA
SCHEMBL8826323 0.83 ALDH1A1 (0.56) MCHR1BCAT1NPC1RAB9ALMNA
SCHEMBL26116873 0.78 BCAT1 (0.57) MCHR1BCAT1NPC1RAB9ALMNA
SCHEMBL26570393 0.77 BCAT1 (0.51) MCHR1BCAT1NPC1RAB9ALMNA
SCHEMBL6235025 0.77 BCAT1 (0.59) MCHR1BCAT1NPC1RAB9ALMNA
SCHEMBL1491962 0.76 BCAT1 (0.53) MCHR1BCAT1NPC1RAB9ALMNA
SCHEMBL17865782 0.76 NAMPT (0.58) NAMPTNPC1RAB9AGAAKMT2A
SCHEMBL13044579 0.76 RORC (0.60) LMNAKMT2AALDH1A1MAPT
SCHEMBL13044613 0.75 NAMPT (0.53) NAMPTNPC1RAB9AGAAKMT2A
SCHEMBL799425 0.75 NAMPT (0.58) NAMPTNPC1RAB9ALMNAGAA

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
US-7834067-B2 Pigment composition, ink composition, printed article, inkjet recording method and polyallylamine derivative FUJIFILM CORPORATION (JP) 2010-11-16 US disclosed
US-20090233062-A1 PIGMENT COMPOSITION, INK COMPOSITION, PRINTED ARTICLE, INKJET RECORDING METHOD AND POLYALLYLAMINE DERIVATIVE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed