SCHEMBL6033004

SCHEMBL6033004

CCCCCCOC([O])CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
SMPD1 P17405 3/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
LPAR2 Q9HBW0 1/20 0.36
NAAA Q02083 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL7269445 0.90 DNM1 (0.42) DNM1LPAR1LPAR3CA1CA2
SCHEMBL10427412 0.90 DNM1 (0.42) DNM1LPAR1LPAR3SMPD1
SCHEMBL5961097 0.88 OPRM1 (0.38) DNM1SMPD1CA1
SCHEMBL9736432 0.87 HTT (0.40) DNM1LPAR1LPAR3SMPD1LPAR2
SCHEMBL6030032 0.87 LMNA (0.36)
SCHEMBL5961136 0.85 ALOX5 (0.33) DNM1SMPD1CA1CA2
SCHEMBL15522266 0.85 DNM1 (0.48) DNM1LPAR1LPAR3SMPD1CA1
SCHEMBL11108585 0.85 DNM1 (0.48) DNM1LPAR1LPAR3SMPD1CA1
SCHEMBL2670811 0.85 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2
SCHEMBL4309898 0.85 DNM1 (0.48) DNM1LPAR1LPAR3SMPD1CA1

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-1666473-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 EP disclosed