SCHEMBL5068321

SCHEMBL5068321

CCCCCCCCCC(C)C#CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
CA1 P00915 2/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL28783023 1.00 SPHK1 (0.43) SPHK1LMNAOPRM1ADH1BADH1C
SCHEMBL31112701 1.00 SPHK1 (0.43) SPHK1LMNAOPRM1ADH1BADH1C
SCHEMBL21218968 1.00 SPHK1 (0.43) SPHK1LMNAOPRM1ADH1BADH1C
SCHEMBL4134939 0.91
SCHEMBL16782308 0.85 OPRM1 (0.48) SPHK1LMNAOPRM1ADH1BADH1C
SCHEMBL29647839 0.85 OPRM1 (0.48) SPHK1LMNAOPRM1ADH1BADH1C
SCHEMBL22325620 0.79 LMNA (0.44) SPHK1LMNAADH1BADH1CADH1A
SCHEMBL21822089 0.79 LMNA (0.44) SPHK1LMNAADH1BADH1CADH1A
SCHEMBL7584065 0.79 GPR84 (0.45) SPHK1LMNAGPR84FDPSFFAR1
SCHEMBL7749495 0.79 GPR84 (0.45) SPHK1LMNAGPR84FDPSFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340570-A Alkynyl phosphite ligand, preparation method thereof and application thereof in hydrosilylation platinum catalyst 华南理工大学 2022-11-15 CN claimed
CN-115340570-A Alkynyl phosphite ligand, preparation method thereof and application thereof in hydrosilylation platinum catalyst 华南理工大学 2022-11-15 CN disclosed
EP-4004115-A1 SILICONE COMPOSITION FOR ELASTOMER FOAM Elkem Silicones France SAS (FR) 2022-06-01 EP disclosed
CN-107858002-A A kind of shrinkage cable liquid silicon rubber composition and preparation method thereof 浙江新安化工集团股份有限公司 2018-03-30 CN disclosed
US-7385000-B2 Silicone rubber composition having improved storage stability WACKER CHEMIE AG (DE) 2008-06-10 US disclosed
US-20060084744-A1 Silicone rubber composition comprising untreated aluminum hydroxide as filler WACKER-CHEMIE GMBH (DE) 2006-04-20 US disclosed
US-20060084745-A1 Silicone rubber composition having improved storage stability WACKER-CHEMIE GMBH (DE) 2006-04-20 US disclosed