2-Heptanol

2-Heptanol

SCHEMBL9852006

CCCC(O)CS.CCCCCC(C)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
GPR84 Q9NQS5 7/20 0.38
OPRM1 P35372 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PSMD14 O00487 2/20 0.37
PLA2G1B P04054 2/20 0.37
MMP2 P08253 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RAD52 P43351 1/20 0.37
CA1 P00915 1/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
NFKB1 P19838 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9185446 0.84
SCHEMBL9184839 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL9187254 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL9178859 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL9185247 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL5183196 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL9181739 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL9186713 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
SCHEMBL9180827 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14
Dodecane SCHEMBL7801580 0.82 GPR84 (0.54) SPHK1GPR84FFAR1FFAR4PSMD14

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
EP-0409680-A1 Pretreatment process of a refining catalyst EURECAT EUROPEENNE DE RETRAITEMENT DE CATALYSEURS (FR) 1991-01-23 EP disclosed