SCHEMBL1963148

SCHEMBL1963148

CCCCc1c(O)ccc([N+](=O)[O-])c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
CTSB P07858 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
HIF1A Q16665 1/20 0.42
CTSH P09668 1/20 0.42
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
VCAM1 P19320 2/20 0.40
GPR35 Q9HC97 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL5587187 0.89 HPGD (0.41) HPGDTSHRCTSBTP53SMN1; SMN2
SCHEMBL1123245 0.87 GPR35 (0.45) HPGDTSHRCTSBTP53SMN1; SMN2
SCHEMBL30425872 0.87 GPR35 (0.45) HPGDTSHRCTSBTP53SMN1; SMN2
SCHEMBL5691196 0.87 GPR35 (0.45) HPGDTSHRCTSBTP53SMN1; SMN2
SCHEMBL27513704 0.86 MAPK1 (0.42) HPGDTSHRCTSBTP53SMN1; SMN2
SCHEMBL27884727 0.85 GPR35 (0.50) TSHRSMN1; SMN2CYP3A4GPR35L3MBTL1
SCHEMBL5590139 0.84 TYR (0.44) HPGDTSHRCTSBTP53SMN1; SMN2
SCHEMBL5587053 0.83 TYR (0.46) CTSBCTSH
SCHEMBL5587233 0.83 TYR (0.46) CTSBCTSH
SCHEMBL5588658 0.83 TYR (0.46) CTSBCTSH

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
CN-110447997-B Cool and comfortable fabric 江苏大毛牛新材料有限公司 2022-02-25 CN disclosed
EP-2336403-B1 FIBER, CLOTH, AND UNDERWEAR GUNZE KK (JP) 2013-08-28 EP 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