SCHEMBL4396686

SCHEMBL4396686

CCC(C)(c1ccccc1)c1cccc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KCNN4 O15554 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4386452 0.86 KIF11 (0.35) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL10601006 0.83 SLC6A2 (0.40) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL28033288 0.80 KMT2A (0.42) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL1837667 0.79 TRPA1 (0.52) TRPA1ATMGABRA1GABRB2CYP2C19
SCHEMBL8853833 0.78 TRPA1 (0.39) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL5598485 0.77 ESR1 (0.44) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL3740131 0.77 ESR1 (0.42) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL284909 0.76 TAAR1 (0.48) CYP2C19MEN1CYP2D6CYP2C9NPY2R
SCHEMBL1618598 0.74 KCNN4 (0.43) KIF11TRPA1ATMGABRA1GABRB2
SCHEMBL1836839 0.74 ALDH1A1 (0.52) KIF11CYP2C19MEN1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576036-B2 Heat-sensitive recording material, heat-sensitive recording method and method for manufacturing heat-sensitive recording material FUJIFILM CORPORATION (JP) 2009-08-18 US disclosed
US-20070032381-A1 Heat-sensitive recording material, heat-sensitive recording method and method for manufacturing heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2007-02-08 US disclosed
US-7153812-B2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 2006-12-26 US disclosed
US-20040192548-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2004-09-30 US disclosed