SCHEMBL11515554

SCHEMBL11515554

CC(=O)C(=O)c1sccc1C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.55
POLB P06746 2/20 0.50
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PKM P14618 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
ALOX5 P09917 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL5472014 0.89 GSK3B (0.61) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL3532775 0.83 GSK3B (0.55) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL10442 0.82
SCHEMBL3289108 0.79 GSK3B (0.61) GSK3BPOLBNPC1RAB9AGAA
Acetic Acid SCHEMBL10683373 0.78 GSK3B (0.55) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL4504630 0.78 SMN1; SMN2 (0.53) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL2547012 0.77
SCHEMBL159280 0.77
SCHEMBL1373805 0.76
SCHEMBL17447436 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed