SCHEMBL13639178

SCHEMBL13639178

C/C=C/[C@H](CCCCCC)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
SMPD1 P17405 3/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DNM1 Q05193 2/20 0.34
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL905304 0.85 SMPD1 (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17502730 0.83 ZDHHC7 (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9091256 0.82
SCHEMBL11104785 0.79 TRPA1 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11104782 0.79 TRPA1 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11106325 0.79 MAPT (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11106319 0.79 MAPT (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1712459 0.77 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11661900 0.77 OPRM1 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13716413 0.77

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-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed