SCHEMBL14778484

SCHEMBL14778484

CCCCCC(OCC(C)C)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SMPD1 P17405 3/20 0.41
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
DNM1 Q05193 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
FDPS P14324 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL14778731 0.98 SMPD1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL14778287 0.98 SMPD1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL14778124 0.98 SMPD1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL14778761 0.98 SMPD1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL14778727 0.98 SMPD1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL14777963 0.98 SMPD1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL14779424 0.93 DNM1 (0.35) OPRM1SMPD1CA1DNM1FDPS
SCHEMBL6176224 0.84 OPRM1 (0.34) OPRM1SMPD1ADH1BADH1CADH1A
SCHEMBL6373873 0.82 TSHR (0.32) LMNATSHR
SCHEMBL6373290 0.80 DNM1 (0.31) CA1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed