SCHEMBL3264257

SCHEMBL3264257

CCCCN(CCCC)c1ccc2c(c1)-c1cc(C)c(Br)cc1C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
AR P10275 1/20 0.33
S100B P04271 1/20 0.33
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30

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
SCHEMBL3264578 0.84 S1PR1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3265028 0.81 CYP2D6 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572829 0.80 CYP3A4 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28348680 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9283743 0.77 CRHR1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9751897 0.77 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3272054 0.77 NR1H2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL665212 0.76 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29055317 0.76 CRHR1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24595437 0.76 AR (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069240-A1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2010-03-18 US disclosed
EP-1440888-B1 Method for issuing a label with thermosensitive adhesive RICOH KK (JP) 2009-12-16 EP disclosed
US-7021214-B2 Method for issuing label with thermosensitive adhesive RICOH COMPANY, LTD. (JP) 2006-04-04 US disclosed
US-20040163556-A1 Method for issuing label with thermosensitive adhesive RICOH COMPANY, LTD. 2004-08-26 US disclosed
EP-1440888-A1 Method for issuing a label with thermosensitive adhesive Ricoh Company (JP) 2004-07-28 EP disclosed