SCHEMBL1900226

SCHEMBL1900226

CCCCCC(CC)CCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 3/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.42
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34

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
SCHEMBL28850741 0.98 LMNA (0.50) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL29028941 0.92 ALDH1A1 (0.54) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL10811553 0.87 ALDH1A1 (0.54) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL1094064 0.87 ALDH1A1 (0.52) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL252431 0.87 ALDH1A1 (0.57) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL28082913 0.85 ALDH1A1 (0.52) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL10422652 0.84 LMNA (0.62) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL525160 0.84 LMNA (0.62) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL7536480 0.84 LMNA (0.62) OPRM1ALDH1A1LMNATDP1CYP3A4
SCHEMBL5673275 0.84 LMNA (0.62) OPRM1ALDH1A1LMNATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436084-B2 Aqueous coating composition and method for forming multilayer coating film KANSAI PAINT CO., LTD. (JP) 2013-05-07 US disclosed
CN-102099418-B Aqueous coating composition and method for forming multilayer coating film KANSAI PAINT CO LTD 2013-01-09 CN disclosed
CN-102099418-A Aqueous coating composition and method for forming multilayer coating film KANSAI PAINT CO LTD 2011-06-15 CN disclosed
US-20110117378-A1 AQUEOUS COATING COMPOSITION AND METHOD FOR FORMING MULTILAYER COATING FILM KANSAI PAINT CO., LTD. (JP) 2011-05-19 US disclosed
WO-2010007891-A1 AQUEOUS COATING COMPOSITION AND METHOD FOR FORMING MULTILAYER COATING FILM KANSAI PAINT CO., LTD. (JP) 2010-01-21 WO disclosed
US-3980724-A Dihalogenation of doubly branched alkanes SUN VENTURES, INC. (US) 1976-09-14 US disclosed