SCHEMBL5285109

SCHEMBL5285109

CCC[N+]1(c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
EIF4H Q15056 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRNA7 P36544 3/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5944444 0.98 NPC1 (0.42) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL5298531 0.88 APOBEC3A (0.37) NPC1RAB9ACYP1A2CYP2C9ALDH1A1
SCHEMBL5944470 0.86 NPC1 (0.37) NPC1RAB9ACYP1A2CYP2C9ALDH1A1
SCHEMBL5299461 0.86 SIGMAR1 (0.37) NPC1RAB9ACYP1A2CYP2C9ALDH1A1
SCHEMBL5295179 0.85 NAAA (0.37) CYP1A2ALDH1A1KMT2AHTTTP53
SCHEMBL5303011 0.85 NAAA (0.37) CYP1A2ALDH1A1KMT2AHTTTP53
SCHEMBL5304182 0.85 NAAA (0.37) CYP1A2ALDH1A1KMT2AHTTTP53
SCHEMBL5305522 0.85 NAAA (0.37) CYP1A2ALDH1A1KMT2AHTTTP53
SCHEMBL5290184 0.85 NAAA (0.37) CYP1A2ALDH1A1KMT2AHTTTP53
SCHEMBL5298224 0.85 NAAA (0.37) CYP1A2ALDH1A1KMT2AHTTTP53

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-9091926-B2 Method of making planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2015-07-28 US disclosed
US-20130255516-A1 METHOD OF MAKING PLANOGRAPHIC PRINTING PLATE AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2013-10-03 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 US disclosed