SCHEMBL11249541

SCHEMBL11249541

CC(C)c1cc(C=NCCN=Cc2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 2/20 0.50
KDM4E B2RXH2 2/20 0.46
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA12 O43570 2/20 0.37
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 2/20 0.36
GABRB1 P18505 3/20 0.36
FABP5 Q01469 1/20 0.36
GSR P00390 1/20 0.35
RXRA P19793 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
Acetic Acid SCHEMBL1228951 0.90 KDM4E (0.49) GABRA1GABRB2KDM4ECA2CA1
Acetic Acid SCHEMBL1229400 0.85 KDM4E (0.47) GABRA1GABRB2KDM4ECA2CA12
Acetic Acid SCHEMBL1230077 0.81 KDM4E (0.49) GABRA1GABRB2KDM4ECA2CA1
Acetic Acid SCHEMBL1229506 0.80 KDM4E (0.39) GABRA1GABRB2KDM4EMEN1GAA
SCHEMBL29617422 0.75 GABRA1 (0.57) GABRA1GABRB2KDM4ECA2CA1
SCHEMBL3965396 0.75 GABRA1 (0.57) GABRA1GABRB2KDM4ECA2CA1
Acetic Acid SCHEMBL1228444 0.75 KDM4E (0.38) GABRA1GABRB2KDM4ECA2CA12
Acetic Acid SCHEMBL1229024 0.75 KDM4E (0.37) GABRA1KDM4ECA2CA1CA12
Acetic Acid SCHEMBL1228465 0.75 KDM4E (0.49) KDM4ECA2CA1CA12MEN1
SCHEMBL30139907 0.75 CA12 (0.57) GABRA1GABRB2KDM4ECA2CA1

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