SCHEMBL28530716

SCHEMBL28530716

[CH2]C=CC(C)CCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
FDPS P14324 2/20 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
SCHEMBL2118871 0.98 OPRM1 (0.42) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL2118867 0.98 OPRM1 (0.42) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL2122880 0.91
SCHEMBL2122884 0.91
SCHEMBL11785440 0.85 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL5985713 0.82
SCHEMBL5985719 0.82
SCHEMBL2120842 0.80
SCHEMBL2120839 0.80
SCHEMBL7296230 0.79 LTB4R (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116272256-A Method and device for collecting tobacco fragrance in redried tobacco tail gas 云南烟叶复烤有限责任公司 2023-06-23 CN disclosed
CN-112495141-A Method and system for collecting tobacco fragrance in flue-cured tobacco leaf tail gas 云南烟叶复烤有限责任公司 2021-03-16 CN disclosed