SCHEMBL28024653

SCHEMBL28024653

CCCCCC(CC)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.35
DNM1 Q05193 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
SMPD1 P17405 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL25953784 0.98 OPRM1 (0.42) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL28024615 0.92 ALDH1A1 (0.37) OPRM1CA1LMNADNM1TSHR
SCHEMBL134089 0.90 OPRM1 (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL1931514 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL2848647 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL10958705 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL9501255 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL1931396 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL1932427 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1
SCHEMBL1931289 0.87 LMNA (0.42) OPRM1SPHK1LMNADNM1SMPD1

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
CN-103130739-B There is the compound of thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2015-09-16 CN disclosed