SCHEMBL9513022

SCHEMBL9513022

CNC(=O)OCCCNC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
NFKB1 P19838 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRNA7 P36544 1/20 0.46
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADH1B P00325 3/20 0.43
ADH1A P07327 3/20 0.43
ADH7 P40394 3/20 0.43
ADH1C P00326 2/20 0.43
ADH4 P08319 1/20 0.42

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
SCHEMBL6320569 0.80 ALDH1A1 (0.50) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL31045462 0.80 EPHX1 (0.57) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5249805 0.79 EPHX1 (0.61) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL19384482 0.79 ADH1B (0.44) EPHX1MAPK1ADH1BADH1AADH7
SCHEMBL12172818 0.79 EPHX1 (0.71) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5248065 0.78 EPHX1 (0.60) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5247088 0.78 EPHX1 (0.64) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL19384483 0.78 ADH1B (0.43) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL5249162 0.77 EPHX1 (0.69) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6289755 0.77 EPHX1 (0.63) EPHX1CHRNB2CHRNA4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354767-B1 Cyclohexane derivative FUJISAWA PHARMACEUTICAL CO (JP) 1993-12-15 EP disclosed
US-4954496-A ANGIOGENESIS INHIBITOR FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-09-04 US disclosed
EP-0354767-A1 Cyclohexane derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-14 EP disclosed