SCHEMBL8895081

SCHEMBL8895081

CCCCCCCCC[CH]C(=O)OC(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
ALDH1A1 P00352 2/20 0.43
ASAH1 Q13510 2/20 0.43
ACER2 Q5QJU3 1/20 0.43
NAAA Q02083 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
POLB P06746 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8896104 1.00 HCAR2 (0.54) HCAR2ALDH1A1ASAH1ACER2NAAA
SCHEMBL8896300 1.00 HCAR2 (0.54) HCAR2ALDH1A1ASAH1ACER2NAAA
SCHEMBL8894632 1.00 HCAR2 (0.54) HCAR2ALDH1A1ASAH1ACER2NAAA
SCHEMBL8894250 0.99 HCAR2 (0.55) HCAR2ALDH1A1ASAH1ACER2NAAA
SCHEMBL8893096 0.94 HCAR2 (0.56) HCAR2ALDH1A1ASAH1ACER2NAAA
SCHEMBL8894006 0.88 HCAR2 (0.59) HCAR2ALDH1A1POLB
SCHEMBL11039134 0.85 NAAA (0.41) HCAR2ALDH1A1ASAH1ACER2NAAA
SCHEMBL8896106 0.84 NAAA (0.42) ALDH1A1ASAH1ACER2NAAANPC1
SCHEMBL8895942 0.82 ALDH1A1 (0.39) ALDH1A1ASAH1ACER2NAAANPC1
SCHEMBL8894982 0.82 HCAR2 (0.63) HCAR2ALDH1A1SMN1; SMN2LMNA

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
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed