SCHEMBL2959541

SCHEMBL2959541

Cc1occc1SCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 1/20 0.44
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 4/20 0.41
CTSB P07858 1/20 0.40
ELANE P08246 1/20 0.40
DUSP3 P51452 1/20 0.40
S100A4 P26447 1/20 0.40
CDC25B P30305 1/20 0.40
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8635994 0.82 TSHR (0.36) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2968803 0.82 MAP2K7 (0.43) KDM4ECDC25BHPGDALDH1A1MAPT
SCHEMBL11816133 0.81 KMT2A (0.41) CYP1A2HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL11877389 0.81 KDM4E (0.46) CYP1A2ALOX15FFAR1KDM4ECTSB
SCHEMBL30308541 0.80 TSHR (0.37) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL11738928 0.78 SMN1; SMN2 (0.35) ALOX15KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4572616 0.74
SCHEMBL28540833 0.74 TSHR (0.41) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL28537584 0.73 ALDH1A1 (0.36) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL27788661 0.73 TSHR (0.37) KDM4EALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115334906-A Masking agent 味之素株式会社 2022-11-11 CN 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 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
CN-115334906-A Masking agent 味之素株式会社 2022-11-11 CN disclosed
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
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