SCHEMBL7122276

SCHEMBL7122276

O=C(O)CCC(S)CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.52
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
ANPEP P15144 4/20 0.43
ENPEP Q07075 4/20 0.43
TET2 Q6N021 3/20 0.42

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
SCHEMBL19182605 0.87 FOLH1 (0.59) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL15135066 0.86 CAMK2A (0.50) FOLH1ANPEPENPEPTET2KDM4A
SCHEMBL14434025 0.84 GSTK1 (0.50) FOLH1ENPEPCAMK2AGPR84FFAR1
SCHEMBL19179124 0.82 FOLH1 (0.54) FOLH1ANPEPENPEPTET2KDM4A
Butyric Acid SCHEMBL28446343 0.81 HDAC1 (0.52) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL8041921 0.80 FOLH1 (0.31) FOLH1
SCHEMBL3515970 0.80 FOLH1 (0.58) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL11799345 0.80 FOLH1 (0.52) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL11797545 0.80 FOLH1 (0.52) FOLH1ANPEPENPEPTET2KDM4A
SCHEMBL8823296 0.78 FOLH1 (0.50) FOLH1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309739-A1 PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID Degussa AG (DE) 2003-05-14 EP disclosed
WO-2002016671-A1 PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID DEGUSSA AG (DE) 2002-02-28 WO disclosed