SCHEMBL15527544

SCHEMBL15527544

CCOc1cc(NC(=O)CCC(=O)OC)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ CHEK1 O14757 1/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL14784665 0.90 CHEK1 (0.52) HTTL3MBTL1CHEK1NPC1CYP1A2
SCHEMBL15527590 0.88 CYP2C19 (0.51) L3MBTL1NPC1CYP1A2CYP2C19MAPT
SCHEMBL15994100 0.85 L3MBTL1 (0.54) HTTL3MBTL1CHEK1NPC1CYP1A2
SCHEMBL15993960 0.84 NPC1 (0.41) HTTL3MBTL1CHEK1NPC1CYP1A2
SCHEMBL14784811 0.79 TSHR (0.48) CHEK1NPC1CYP1A2CYP2C19MAPT
SCHEMBL15527688 0.79 L3MBTL1 (0.50) HTTL3MBTL1CHEK1CYP1A2CYP2C19
SCHEMBL14784281 0.76 HPGD (0.47) HTTL3MBTL1CHEK1MAPTRAB9A
SCHEMBL15994010 0.76 L3MBTL1 (0.47) HTTL3MBTL1CHEK1CYP1A2CYP2C19
SCHEMBL15993906 0.76 CHEK1 (0.52) HTTL3MBTL1CHEK1NPC1CYP1A2
SCHEMBL15527734 0.75 L3MBTL1 (0.51) HTTL3MBTL1CHEK1NPC1CYP1A2

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-2013164245-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-07 — — WO disclosed
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