SCHEMBL1000643

SCHEMBL1000643

CC(=O)OSCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ TSHR P16473 2/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ POLB P06746 5/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ USP2 O75604 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL11326711 0.83 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11337541 0.83 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11337543 0.83 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11342787 0.83 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8791885 0.83 ALDH1A1 (0.45) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11328052 0.81 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11337831 0.80 TSHR (0.50) ALDH1A1TSHRMAPTHPGDHSD17B10
SCHEMBL526409 0.77 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7275956 0.75 TSHR (0.42) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8791871 0.74 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011502494-A — — 2011-01-27 — — JP claimed
EP-2219466-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE Nestec S.A. (CH) 2010-08-25 — — EP claimed
CN-1762231-B Natural paste-form meat taste essence and its preparation method SHANGHAI INST TECHNOLOGY 2010-07-14 — — CN claimed
WO-2009062800-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE NESTEC S.A. (CH) 2009-05-22 — — WO claimed
CN-1762231-A Natural paste-form meat taste essence and its preparation method SHANGHAI INST TECHNOLOGY (CN) 2006-04-26 — — CN claimed
EP-2219466-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE Nestec S.A. (CH) 2010-08-25 — — EP disclosed
CN-1762231-B Natural paste-form meat taste essence and its preparation method SHANGHAI INST TECHNOLOGY 2010-07-14 — — CN disclosed
WO-2009062800-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE NESTEC S.A. (CH) 2009-05-22 — — WO disclosed
CN-1874686-A Fermented coffee beverage NESTEC SA (CH) 2006-12-06 — — CN disclosed
CN-1762231-A Natural paste-form meat taste essence and its preparation method SHANGHAI INST TECHNOLOGY (CN) 2006-04-26 — — CN disclosed
US-5747302-A INCUBATING CYSTEINE-S-COMPLEX WITH YEAST TO SPLIT NESTEC S.A. (CH) 1998-05-05 — — US disclosed
EP-0770686-A1 Process for the production of thiols SOCIETE DES PRODUITS NESTLE S.A. (CH) 1997-05-02 — — EP disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 — — US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 — — US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
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