SCHEMBL11249533

SCHEMBL11249533

CC(C)c1cc(/C=C(N)/C(N)=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.53
GABRB2 P47870 3/20 0.53
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
FABP3 P05413 2/20 0.39
FABP4 P15090 2/20 0.39
EGFR P00533 1/20 0.39
GABRB1 P18505 4/20 0.38
KDM4E B2RXH2 1/20 0.38
FABP5 Q01469 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GSR P00390 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2B6 P20813 1/20 0.33
TYR P14679 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL11249537 1.00 GABRA1 (0.53) GABRA1GABRB2CA1CA2FABP3
SCHEMBL29617422 0.78 GABRA1 (0.57) GABRA1GABRB2CA1CA2FABP3
SCHEMBL3965396 0.78 GABRA1 (0.57) GABRA1GABRB2CA1CA2FABP3
SCHEMBL94533 0.76 GABRA1 (0.77) GABRA1GABRB2CA1CA2FABP3
Ammonia Solution, Strong SCHEMBL28098766 0.74 GABRA1 (0.74) GABRA1GABRB2CA1CA2FABP3
SCHEMBL11249541 0.72 GABRA1 (0.50) GABRA1GABRB2CA1CA2FABP3
SCHEMBL26521897 0.71 GABRA1 (0.63) GABRA1GABRB2CA1CA2FABP3
SCHEMBL15064751 0.70 GABRA1 (0.68) GABRA1GABRB2CA1CA2FABP3
SCHEMBL1617739 0.70 GABRA1 (1.00) GABRA1GABRB2CA1CA2FABP3
SCHEMBL8897499 0.69 GABRA1 (0.61) GABRA1GABRB2CA1CA2FABP3

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
US-4347288-A High-voltage cable having a polythene containing insulation sheath which is provided with means to avoid or impede the formation or the growth of watertrees, the means comprising a metal complex U.S. PHILIPS CORPORATION (US) 1982-08-31 US disclosed
EP-0027300-A1 High-voltage cable having a polyethylene containing insulation sheath which is provided with means to avoid or impede the formation or the growth of watertrees Koninklijke Philips Electronics N.V. (NL) 1981-04-22 EP disclosed