SCHEMBL21689253

SCHEMBL21689253

CCCCC(CC)CN(C)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 5/20 0.50
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 2/20 0.46
GGPS1 O95749 3/20 0.39
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL14580744 0.93 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1GGPS1
SCHEMBL28084013 0.92 GGPS1 (0.49) ALDH1A1CYP3A4TSHRTDP1GGPS1
SCHEMBL15563344 0.92 GGPS1 (0.49) ALDH1A1CYP3A4TSHRTDP1GGPS1
SCHEMBL20298545 0.91 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GGPS1
SCHEMBL22198337 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1GGPS1
SCHEMBL865037 0.89 GGPS1 (0.42) ALDH1A1CYP3A4TSHRTDP1GGPS1
SCHEMBL833730 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL4166786 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GGPS1
Iodide SCHEMBL30985992 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2
Hydrochloric Acid SCHEMBL11419454 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809611-B1 USE OF AN IONIC LIQUID FOR STORING HYDROGEN PROIONIC GMBH (AT) 2020-02-05 EP disclosed
CN-109609213-A Purposes of the complex ester in fuel 巴斯夫欧洲公司 2019-04-12 CN disclosed
CN-105765039-B Use of complex esters in fuels 巴斯夫欧洲公司 2019-02-12 CN disclosed
CN-105283529-B Seal compatibility additives for lubricant compositions for improving fluoropolymer seal compatibility 巴斯夫欧洲公司 2018-08-10 CN disclosed
CN-105247024-B Seal compatibility additives for lubricant compositions for improving fluoropolymer seal compatibility 巴斯夫欧洲公司 2018-08-10 CN disclosed
CN-108291171-A The collaboration lubricant oil composite of mixture containing olefin copolymer dispersant type viscosity improver and amine compounds 雪佛龙奥伦耐有限责任公司 2018-07-17 CN disclosed
CN-104955926-B For improving the lubricant compositions for including epoxide compound of fluoropolymer sealant compatibility 巴斯夫欧洲公司 2018-06-22 CN disclosed
CN-105765039-A Use of complex esters in fuels 巴斯夫欧洲公司 2016-07-13 CN disclosed
CN-104955926-A Lubricant compositions comprising epoxide compounds to improve fluoropolymer seal compatibility BASF SE 2015-09-30 CN disclosed
CN-104884592-A Lubricant compositions comprising epoxide compounds to improve fluoropolymer seal compatibility BASF SE 2015-09-02 CN disclosed
CN-104870622-A Lubricant compositions comprising epoxide compounds BASF SE 2015-08-26 CN disclosed