SCHEMBL6836790

SCHEMBL6836790

N#CCc1cc(=O)c2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.58
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
TNKS O95271 5/20 0.50
SIGMAR1 Q99720 2/20 0.50
NPC1 O15118 4/20 0.47
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PARP1 P09874 3/20 0.47
TNKS2 Q9H2K2 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47

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
SCHEMBL29803387 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL29802950 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL5695477 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL3395103 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL3399447 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL30876965 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL9471231 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL9972758 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL3814678 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1
SCHEMBL11637530 0.77 PPARG (0.63) PPARGCYP11B1CYP11B2TNKSSIGMAR1

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
US-6756403-B2 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID ELI LILLY AND COMPANY 2004-06-29 US disclosed
US-4122200-A 6',2-(2'Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-10-24 US disclosed
US-4097582-A 6',2-(2'-Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-06-27 US disclosed