SCHEMBL9849183

SCHEMBL9849183

CCCCCCC(C)C1OO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
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

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
SCHEMBL9849407 0.98 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL15461829 0.73 ALDH1A1 (0.45) OPRM1SPHK1
SCHEMBL5051429 0.73 ALDH1A1 (0.45) OPRM1SPHK1
SCHEMBL9849429 0.71 OPRM1 (0.37) OPRM1LMNADNM1THRB
SCHEMBL22268712 0.71 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL16488405 0.71 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL24093422 0.71 OPRM1 (0.38) OPRM1SPHK1LMNA
SCHEMBL31067727 0.69
SCHEMBL28435098 0.69 OPRM1 (0.50) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL22950680 0.68 OPRM1 (0.55) OPRM1SPHK1LMNADNM1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP claimed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP disclosed