SCHEMBL6581838

SCHEMBL6581838

CC(=O)c1cc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 6/20 0.68
▸ CYSLTR1 Q9Y271 2/20 0.55
▸ RUVBL1 Q9Y265 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ BCHE P06276 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.48
▸ S1PR4 O95977 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ S1PR5 Q9H228 1/20 0.48
▸ PPARA Q07869 2/20 0.48

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
SCHEMBL6580317 0.99 NR1H4 (0.67) NR1H4CYSLTR1RUVBL1MAPTNPC1
SCHEMBL6581728 0.90 ALOX15 (0.57) NR1H4NPC1RAB9AKMT2A
SCHEMBL6577799 0.88 ALOX15 (0.57) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL9713649 0.86 NR1H4 (0.63) NR1H4CYSLTR1MAPTNPC1RAB9A
SCHEMBL6579798 0.85 NR1H4 (0.61) NR1H4MAPTNPC1RAB9AMEN1
SCHEMBL6582685 0.83 MAPT (0.63) NR1H4MAPTNPC1RAB9AMEN1
SCHEMBL22192243 0.81 NR1H4 (0.71) NR1H4MAPTNPC1RAB9AMEN1
SCHEMBL6580199 0.81 NR1H4 (0.54) NR1H4MAPTNPC1RAB9AMEN1
SCHEMBL3415084 0.81 NR1H4 (0.62) NR1H4CYSLTR1NPC1RAB9AMEN1
SCHEMBL6580139 0.81 NPC1 (0.63) MAPTNPC1RAB9AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 — — EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 — — US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 — — EP disclosed
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