SCHEMBL14730249

SCHEMBL14730249

CCCC(C)N(c1ccccc1)c1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.42
NPC1 O15118 2/20 0.39
MTOR P42345 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19139164 0.87 RELA (0.52) RELACTDSP1NPC1MTORTP53
SCHEMBL11238045 0.86 AOC3 (0.41) NPC1TP53CHRNB2KDM4ELMNA
SCHEMBL15134511 0.82 RELA (0.41) RELACTDSP1NPC1MTORTP53
SCHEMBL4621269 0.80 ALDH1A1 (0.52) NPC1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL24301333 0.79 RELA (0.59) RELACTDSP1NPC1KDM4ELMNA
SCHEMBL12292332 0.76 RELA (0.40) RELACTDSP1NPC1CYP2C9MEN1
SCHEMBL30691822 0.74 SIGMAR1 (0.42) NPC1HTR2AMEN1RAB9AKMT2A
SCHEMBL11232615 0.73 CYP17A1 (0.40) NPC1KDM4EHPGDRAB9A
SCHEMBL21427601 0.73 SLC6A2 (0.36) NPC1TP53CYP3A4KDM4ELMNA
SCHEMBL11478012 0.73 AOC3 (0.39) CTDSP1NPC1CHRNB2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052574-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE-FORMING APPARATUS, AND ELECTROPHOTOGRAPHIC CARTRIDGE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-02-28 US disclosed