3-Heptanol

3-Heptanol

SCHEMBL2882446

CCCC(O)CCC.CCCCC(O)CC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
FDPS P14324 1/20 0.41
GPR84 Q9NQS5 5/20 0.41
CA2 P00918 3/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5030141 0.92 FFAR4 (0.45) FFAR4FFAR1NFKB1FDPSGPR84
SCHEMBL1329655 0.92 FFAR4 (0.45) FFAR4FFAR1ALDH1A1NFKB1FDPS
SCHEMBL30100997 0.92 FFAR4 (0.45) FFAR4FFAR1ALDH1A1NFKB1FDPS
SCHEMBL6286717 0.92 FFAR4 (0.40) FFAR4FFAR1ALDH1A1NFKB1FDPS
3-Heptanol SCHEMBL26280 0.92
3-Heptanol SCHEMBL12399 0.92
SCHEMBL6827243 0.92
SCHEMBL78215 0.92
3-Heptanol SCHEMBL7527598 0.92
SCHEMBL27807433 0.92

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-1680430-B1 PROCESSES FOR PREPARING FORM I OF (S)-(+)- CLOPIDOGREL BISULFATE CADILA HEALTHCARE LTD (IN) 2010-01-20 EP disclosed