SCHEMBL2959546

SCHEMBL2959546

Cc1occc1CC(O)=S

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 6/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9206585 0.79 ALOX5 (0.51) ALOX5LMNAKDM4ECYP2C19GAA
SCHEMBL3533840 0.74
SCHEMBL2959538 0.73 ALOX5 (0.50) ALOX5LMNAKDM4ECYP2C19GAA
SCHEMBL7334644 0.73 ALOX5 (0.59) ALOX5LMNAKDM4ECYP2C19GAA
SCHEMBL1756881 0.73
SCHEMBL19792665 0.72 ALOX5 (0.47) ALOX5LMNAKDM4ECYP2C19GAA
SCHEMBL256685 0.70
SCHEMBL3542930 0.69 ALOX5 (0.46) ALOX5GAASMN1; SMN2TSHRTDP1
SCHEMBL702163 0.69
SCHEMBL8008537 0.69

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 12 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 claimed
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 claimed
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
EP-1090557-B1 Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative QUEST INT (NL) 2005-09-28 EP disclosed
US-6716468-B1 MEAT FLAVORED FOODSTUFF COMPRISING COMBINATION OF AT LEAST ONE COMPOUND WITH (HYDROGENATED) 2-METHYL-3-FURYL-THIO MOIETY AND AT LEAST ONE COMPOUND WITH METHYLTHIO MOIETY QUEST INTERNATIONAL B.V. (NL) 2004-04-06 US 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
WO-2001077359-A2 PREPARATION OF THIOLS AND DERIVATIVES BY BIO-CONVERSION SOCIETE DES PRODUITS NESTLE S.A. (CH) 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
EP-1090557-A1 Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative QUEST INTERNATIONAL B.V. (NL) 2001-04-11 EP disclosed