SCHEMBL13044587

SCHEMBL13044587

CCC(C)CNC(=O)Nc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.66
KDM4E B2RXH2 8/20 0.59
GSK3B P49841 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ANPEP P15144 1/20 0.54
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL13480552 0.82 EPHX1 (0.77) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL3692965 0.80 ANPEP (0.60) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL171258 0.80 EPHX1 (0.60) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL12196197 0.80 EPHX1 (1.00) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL19062409 0.78 TSHR (0.64) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL10603000 0.77 CA12 (0.50) EPHX1KDM4EALDH1A1MAPTKMT2A
SCHEMBL13044618 0.77 PLK1 (0.55) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL18896220 0.77 EPHX1 (0.57) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL12251359 0.77 EPHX1 (0.57) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL10089308 0.77 EPHX1 (0.83) EPHX1KDM4EGSK3BALDH1A1MAPT

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