SCHEMBL1963149

SCHEMBL1963149

CCCCc1ccc(O)c([N+](=O)[O-])c1CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
TYR P14679 3/20 0.44
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MCL1 Q07820 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
SCHEMBL28321114 0.94 TYR (0.53) TRPV1TYRTDP1HTTMEN1
SCHEMBL1123246 0.87 TYR (0.46) TRPV1TYRTDP1ALDH1A1HTT
SCHEMBL30425872 0.84 GPR35 (0.45) TRPV1TDP1ALDH1A1HTTHPGD
SCHEMBL5691196 0.84 GPR35 (0.45) TRPV1TDP1ALDH1A1HTTHPGD
SCHEMBL22261894 0.81 TYR (0.51) TRPV1TYRTDP1HTTMEN1
SCHEMBL29467784 0.79 GPR35 (0.50) TYRMAPTALOX15GPR35MCL1
SCHEMBL27491325 0.79 GPR35 (0.50) TYRMAPTALOX15GPR35MCL1
SCHEMBL1123245 0.78 GPR35 (0.45) TRPV1TDP1ALDH1A1HTTHPGD
SCHEMBL9904970 0.78 ALDH1A1 (0.44) TYRTDP1ALDH1A1MAPTGPR35
SCHEMBL167918 0.76 TYR (0.55) TYRTDP1ALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110447997-B Cool and comfortable fabric 江苏大毛牛新材料有限公司 2022-02-25 CN disclosed
CN-110447997-A A kind of refrigerant Comfortable fabric ZHANG CHANGLU 2019-11-15 CN disclosed
EP-2336403-B1 FIBER, CLOTH, AND UNDERWEAR GUNZE KK (JP) 2013-08-28 EP disclosed
CN-102171389-B Fiber, cloth, and underwear GUNZE KK 2013-08-07 CN disclosed
CN-102171389-A Fiber, cloth, and underwear GUNZE KK 2011-08-31 CN disclosed
US-20110203037-A1 FIBER, CLOTH, AND UNDERWEAR GUNZE LIMITED (JP) 2011-08-25 US disclosed
EP-2336403-A1 FIBER, CLOTH, AND UNDERWEAR Gunze Limited (JP) 2011-06-22 EP disclosed