SCHEMBL6665368

SCHEMBL6665368

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TP53 P04637 2/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 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 0.86 ALDH1A1 (0.53) NPSR1HPGDTP53MAPTALDH1A1
SCHEMBL6669041 0.85 ALDH1A1 (0.48) NPSR1HPGDTP53MAPTALDH1A1
SCHEMBL6664922 0.85 NPSR1 (0.48) NPSR1HPGDTP53MAPTALDH1A1
SCHEMBL6665392 0.85 ALDH1A1 (0.51) NPSR1HPGDTP53MAPTALDH1A1
SCHEMBL6681189 0.83 ALDH1A1 (0.61) NPSR1HPGDTP53ALDH1A1CYP2D6
SCHEMBL6664323 0.81 ALDH1A1 (0.50) NPSR1HPGDALDH1A1CYP3A4KMT2A
SCHEMBL6680489 0.79 KMT2A (0.49) NPSR1TP53MAPTKDM4ETSHR
SCHEMBL6663170 0.79 CHRM3 (0.67) ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL6665574 0.76 MEN1 (0.57) MAPTALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL17205165 0.73 TGFBR1 (0.57) TP53L3MBTL1KDM4EKMT2ACHRM3

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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