SCHEMBL28842995

SCHEMBL28842995

C#CC(C)CCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL30572137 1.00 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL313412 1.00 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL3532757 1.00 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL30537662 1.00 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL11580737 0.97
SCHEMBL2042353 0.90
SCHEMBL5808432 0.89 FFAR4 (0.48) SPHK1ACE2
SCHEMBL16782308 0.79 OPRM1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9438117 0.79 OPRM1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL29647839 0.79 OPRM1 (0.48) OPRM1SPHK1LMNADNM1TSHR

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
CN-114929806-A Wear-resistant multilayer composite material 埃肯有机硅(上海)有限公司 2022-08-19 CN disclosed