SCHEMBL2963080

SCHEMBL2963080

CCCCC(SS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.44
PPARG P37231 8/20 0.42
ALOX5 P09917 7/20 0.42
PPARA Q07869 4/20 0.42
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
PTGES O14684 4/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL4282714 0.92 GPR84 (0.53) CA2PPARGALOX5GPR84FFAR1
SCHEMBL4286452 0.92 GPR84 (0.53) CA2PPARGALOX5GPR84FFAR1
SCHEMBL9068438 0.82 CA2 (0.52) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL18786585 0.80 CA2 (0.50) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL28712492 0.80 CA2 (0.50) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL874009 0.80 CA2 (0.50) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL1478760 0.78 CA2 (0.48) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL5321452 0.78 CA2 (0.48) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL8744934 0.78 HSD17B10 (0.51) CA2MAPK1HSD17B10PPARGALOX5
SCHEMBL15750965 0.78 CA2 (0.54) CA2MAPK1HSD17B10PPARGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771769-B2 Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula R1-S-R2 in which R1 and R2 represent a specific atom or group QUEST INTERNATIONAL B.V. (NL) 2010-08-10 US disclosed
US-20100143563-A1 FLAVOURING A FOODSTUFF BY INCORPORATING AN EFFECTIVE AMOUNT OF AT LEAST ONE COMPOUND OF THE FORMULA R1-S-R2 IN WHICH R1 AND R2 REPRESENT A SPECIFIC ATOM OR GROUP QUEST INTERNATIONAL B.V. (NL) 2010-06-10 US disclosed
EP-1692952-A2 Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups QUEST INTERNATIONAL B.V. (NL) 2006-08-23 EP disclosed
US-20040052914-A1 Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula r1-s-r2 in which r1 and r2 represent a specific atom or group QUEST INTERNATIONAL B.V. (NL) 2004-03-18 US disclosed
WO-2001076390-A2 FLAVOURING A FOODSTUFF WITH COMPOUNDS CONTAINING A SULFUR ATOM LINKED TO TWO SPECIFIC ATOMS OR GROUPS QUEST INTERNATIONAL B.V. (NL) 2001-10-18 WO disclosed
EP-1142490-A1 Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups QUEST INTERNATIONAL B.V. (NL) 2001-10-10 EP disclosed