SCHEMBL28429705

SCHEMBL28429705

CCCC[C@H](C)CCCCCCCCCCCC=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
FAAH O00519 2/20 0.56
TRPV1 Q8NER1 2/20 0.56
ACE2 Q9BYF1 1/20 0.47
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
EPHX1 P07099 1/20 0.37
DNM1 Q05193 1/20 0.36
CA2 P00918 1/20 0.35
OPRM1 P35372 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
SCHEMBL31181886 1.00 TSHR (0.62) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL28954637 1.00 TSHR (0.62) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL10929196 1.00 TSHR (0.62) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL9112612 1.00 TSHR (0.62) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL1786680 0.98 TSHR (0.58) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL23925001 0.96 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL8534503 0.96 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL296642 0.96 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL8533349 0.96 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL9544428 0.96 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440046-B Synthetic method of sex pheromone (S) -14-methyl-1-octadecene of lepidoptera pest phyllocladia persica 塔里木大学 2022-09-16 CN claimed
CN-111440046-A Synthesis method of sex pheromone (S) -14-methyl-1-octadecene of lepidoptera pest peach leaf miner 塔里木大学 2020-07-24 CN claimed
CN-111440046-B Synthetic method of sex pheromone (S) -14-methyl-1-octadecene of lepidoptera pest phyllocladia persica 塔里木大学 2022-09-16 CN disclosed
CN-111440046-A Synthesis method of sex pheromone (S) -14-methyl-1-octadecene of lepidoptera pest peach leaf miner 塔里木大学 2020-07-24 CN disclosed