SCHEMBL7590291

SCHEMBL7590291

CCCC[C@H](S)CC(CCCC[C@H](S)CCOC)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.33
LPAR6 P43657 3/20 0.30
LPAR1 Q92633 3/20 0.30
LPAR4 Q99677 3/20 0.30
LPAR5 Q9H1C0 3/20 0.30
LPAR2 Q9HBW0 3/20 0.30
LPAR3 Q9UBY5 3/20 0.30

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
SCHEMBL3248615 0.84 MMP13 (0.40) MMP13
SCHEMBL5163680 0.84 MMP13 (0.40) MMP13
SCHEMBL5158910 0.84 MMP13 (0.40) MMP13
SCHEMBL3692284 0.76 PRKD3 (0.35) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL28230241 0.74 PRKD3 (0.38) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL10335519 0.73 DNM1 (0.38) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL23120070 0.72 PRKD3 (0.41) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL26986483 0.72 PRKD3 (0.41) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL18072155 0.72 DNM1 (0.44) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL29473930 0.71

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-1249446-A2 Use of thio derivates as perfuming and flavoring ingredients FIRMENICH SA (CH) 2002-10-16 EP disclosed