SCHEMBL13687283

SCHEMBL13687283

C=COC(CCCCCCCCCCCCCCC)OC=C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
FDPS P14324 3/20 0.34
GPR84 Q9NQS5 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL2453033 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL13687268 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL755748 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL2130926 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL36477 0.98 SMPD1 (0.41) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL13686628 0.91 TSHR (0.40) SMPD1TSHRDNM1
Cyclohexane SCHEMBL6913818 0.90 SMPD1 (0.42) SMPD1TSHRLMNAFDPSGPR84
SCHEMBL6762424 0.85 OPRM1 (0.37) SMPD1TSHRLMNAOPRM1
SCHEMBL11697875 0.83 TSHR (0.38) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL20599262 0.83 TSHR (0.38) SMPD1TSHRLMNADNM1ADH1B

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-2095947-A1 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate, and method of manufacturing relief printing plate FUJIFILM Corporation (JP) 2009-09-02 EP disclosed