SCHEMBL13044612

SCHEMBL13044612

CCC(C)CNC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NAMPT P43490 3/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.41
PDE10A Q9Y233 1/20 0.40
TPMT P51580 1/20 0.39

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
SCHEMBL13350424 0.89 GAA (0.55) ATMGAAKMT2AHSD17B10KDM4E
SCHEMBL1004027 0.84 GAA (0.62) ATMGAAKMT2AHSD17B10TAS1R3
SCHEMBL26699525 0.83 NAMPT (0.53) GAAKMT2APOLBNAMPTLMNA
SCHEMBL17865782 0.82 NAMPT (0.58) GAAKMT2AHSD17B10KDM4ENAMPT
SCHEMBL4582006 0.80 GAA (0.46) ATMGAAKMT2AHSD17B10KDM4E
SCHEMBL5940560 0.78 KDM4E (0.53) GAAKMT2AHSD17B10KDM4EPOLB
SCHEMBL19112863 0.78 GAA (0.45) ATMGAAKMT2AHSD17B10TAS1R3
SCHEMBL1003870 0.77 GAA (0.54) GAAKMT2ATAS1R3TAS1R1KDM4E
SCHEMBL799425 0.77 NAMPT (0.58) GAAKMT2AHSD17B10POLBNAMPT
SCHEMBL19349021 0.77 NAMPT (0.58) GAAKMT2AHSD17B10POLBNAMPT

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