SCHEMBL2349074

SCHEMBL2349074

N[C@@H](CSCc1ccco1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
KLKB1 P03952 1/20 0.47
ALDH1A1 P00352 11/20 0.46
POLB P06746 5/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KIF11 P52732 2/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2349071 1.00 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1KLKB1
SCHEMBL21590084 0.85 ALDH1A1 (0.50) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL21590087 0.85 ALDH1A1 (0.50) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL31290369 0.81 ALDH1A1 (0.50) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL28694773 0.81 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL8580215 0.79 TSHR (0.50) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL180118 0.78 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1POLB
SCHEMBL1663153 0.78 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1POLB
SCHEMBL599915 0.78 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1POLB
SCHEMBL1641498 0.76 TSHR (0.56) TSHRALDH1A1POLBHPGDMAPT

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-8329241-B2 Heating, grinding, recovering; food, beverages, cosmetics, hygiene, dentifirces, tobacco GIVAUDAN SA (CH) 2012-12-11 US disclosed
EP-1478225-B1 BRASSICA SEEDS GIVAUDAN SA (CH) 2011-08-31 EP disclosed
US-20050053714-A1 Brassica seeds BINGGELI EVA (US) 2005-03-10 US disclosed
EP-1478225-A2 BRASSICA SEEDS Givaudan SA (CH) 2004-11-24 EP disclosed
US-20030165587-A1 Production of 2-furfurylthiol in brassica seed and use of same GIVAUDAN SA 2003-09-04 US disclosed
WO-2003071863-A2 BRASSICA SEEDS GIVAUDAN SA (CH) 2003-09-04 WO disclosed