SCHEMBL9849407

SCHEMBL9849407

CCCCCC(C)C1OO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
DNM1 Q05193 1/20 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

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
SCHEMBL9849183 0.98 OPRM1 (0.42) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL9849229 0.92
SCHEMBL9849429 0.73 OPRM1 (0.37) OPRM1LMNADNM1
SCHEMBL9544521 0.71 EPHX1 (0.34) OPRM1DNM1
SCHEMBL16992937 0.70 OPRM1 (0.44) OPRM1CA1SPHK1LMNATP53
SCHEMBL5051429 0.70 ALDH1A1 (0.45) OPRM1SPHK1
SCHEMBL15461829 0.70 ALDH1A1 (0.45) OPRM1SPHK1
SCHEMBL24093422 0.69 OPRM1 (0.38) OPRM1SPHK1LMNA
SCHEMBL22268712 0.68 OPRM1 (0.42) OPRM1SPHK1LMNADNM1
SCHEMBL4904464 0.66 ACE2 (0.58) OPRM1CA1SPHK1LMNATP53

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