SCHEMBL4616293

SCHEMBL4616293

CCCCCCCCCCCCCCCCCCC(OCC1CO1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
KCNH2 Q12809 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM2 Q14416 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC7A5 Q01650 1/20 0.35
HTR2A P28223 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL38656448 0.94 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2GLAOPRM1
SCHEMBL38657357 0.88 TDP1 (0.45) ALDH1A1TDP1SMN1; SMN2GLAMEN1
SCHEMBL8067565 0.83 TDP1 (0.42) ALDH1A1TDP1SMN1; SMN2GLAMEN1
SCHEMBL20504407 0.82 TDP1 (0.47) ALDH1A1TDP1SMN1; SMN2GLAMEN1
SCHEMBL8068723 0.80 TDP1 (0.45) ALDH1A1TDP1SMN1; SMN2GLAMEN1
SCHEMBL26087576 0.79 CASR (0.42) ALDH1A1SMN1; SMN2KCNH2OPRM1OPRD1
SCHEMBL15666864 0.78 TDP1 (0.44) ALDH1A1TDP1SMN1; SMN2GLAMEN1
SCHEMBL28042430 0.77 SLC7A5 (0.43) ALDH1A1SMN1; SMN2KCNH2OPRM1OPRD1
SCHEMBL28042227 0.77 NPC1 (0.43) ALDH1A1SMN1; SMN2KCNH2OPRM1OPRD1
SCHEMBL28042425 0.77 HTR2A (0.41) ALDH1A1SMN1; SMN2KCNH2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3090696-A None JP disclosed
US-10227258-B2 Shrinkage-reducing agent for hydraulic material NIPPON SHOKUBAI CO., LTD. (JP) 2019-03-12 US disclosed
US-20170226012-A1 SHRINKAGE-REDUCING AGENT FOR HYDRAULIC MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2017-08-10 US disclosed
EP-3202742-A1 SHRINKAGE-REDUCING AGENT FOR HYDRAULIC MATERIAL Nippon Shokubai Co., Ltd. (JP) 2017-08-09 EP disclosed
EP-1725508-B1 ADDITIVE FOR HYDRAULIC MATERIAL NIPPON CATALYTIC CHEM IND (JP) 2008-02-13 EP disclosed
US-20070181042-A1 Additive for hydraulic material NIPPON SHOKUBAI CO., LTD. (JP) 2007-08-09 US disclosed
CN-1934049-A Additive for hydraulic material NIPPON CATALYTIC CHEM IND (JP) 2007-03-21 CN disclosed
EP-1725508-A1 ADDITIVE FOR HYDRAULIC MATERIAL Nippon Shokubai Co.,Ltd. (JP) 2006-11-29 EP disclosed
WO-2005087684-A1 ADDITIVE FOR HYDRAULIC MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-22 WO disclosed
JP-H0390696-A CATIONIC SIZE FOR PAPERMAKING NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1991-04-16 JP disclosed