SCHEMBL6680489

SCHEMBL6680489

COc1ccc(OC)c(NC(=O)OCC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ TSHR P16473 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CHRM3 P20309 2/20 0.46

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
SCHEMBL6664310 0.92 ALDH1A1 (0.53) KMT2AMEN1NPSR1TSHRTP53
SCHEMBL6664439 0.85 CHRM3 (0.56) KMT2ATP53CHRM3
SCHEMBL6665392 0.84 ALDH1A1 (0.51) KMT2AMEN1NPSR1TP53GAA
SCHEMBL6663459 0.80 CHRM3 (0.58) KMT2ACHRM3
SCHEMBL6665368 0.79 NPSR1 (0.52) KMT2AMEN1NPSR1TSHRTP53
SCHEMBL6681189 0.79 ALDH1A1 (0.61) KMT2AMEN1NPSR1TP53HTT
SCHEMBL21052224 0.79 CHRM3 (0.75) CHRM3
SCHEMBL6669041 0.79 ALDH1A1 (0.48) KMT2ANPSR1TSHRTP53LMNA
SCHEMBL6664922 0.79 NPSR1 (0.48) KMT2ANPSR1TSHRTP53KDM4E
SCHEMBL6663170 0.75 CHRM3 (0.67) CHRM3

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
WO-2004014425-A1 ACTIVATORS OF SMALL CONDUCTANCE CALCIUM ACTIVATED POTASSIUM CHANNELS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2004-02-19 — — WO disclosed
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