SCHEMBL10436751

SCHEMBL10436751

CCCCCCCCCCCCCCCCCCOCC(COCc1ccccc1)OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.47
PTAFR P25105 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
CETP P11597 3/20 0.47
TLR2 O60603 6/20 0.46
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44

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
SCHEMBL10848091 0.88 CETP (0.48) CETP
SCHEMBL7789021 0.87 ALDH1A1 (0.55)
SCHEMBL4555844 0.87 ALDH1A1 (0.52) TLR2
SCHEMBL13058720 0.87 ALDH1A1 (0.52) TLR2
SCHEMBL9775021 0.87 NPC1 (0.46) TLR2
SCHEMBL10578153 0.85 ADRA1D (0.44) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL24826806 0.85 PRKCA (0.61) TLR2
SCHEMBL10598022 0.85 CES2 (0.48) CETPTLR2PLA2G10PLA2G2A
Hydrochloric Acid SCHEMBL10582208 0.84 ADRA1D (0.43) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL9716343 0.83 PLA2G10 (0.48) CETPTLR2PLA2G10PLA2G2A

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-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed