SCHEMBL9495241

SCHEMBL9495241

CCOC(C)C(C)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
LMNA P02545 5/20 0.42
TSHR P16473 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 1/20 0.41
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 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
SCHEMBL9493879 0.83 LMNA (0.39) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL29728550 0.83 LMNA (0.48) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL1470236 0.81 LMNA (0.39) LMNATSHRGABRPGABRDGABRA1
SCHEMBL9494957 0.81 LMNA (0.38) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL9494655 0.79 EPHX1 (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL608446 0.79
SCHEMBL15135759 0.79 LMNA (0.38) LMNACHRM1CHRM3GABRPGABRD
SCHEMBL1469987 0.77 LMNA (0.36) LMNATHRBCA1CA2
SCHEMBL30949855 0.76
SCHEMBL1470091 0.76 ALDH1A1 (0.50) ALOX15LMNAMAPTHSD17B10THRB

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
US-5179223-A Reacting primary amine, urea and oxime UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-01-12 US disclosed