SCHEMBL7351533

SCHEMBL7351533

O=C(CC(S)C(=O)O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 5/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GSK3B P49841 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
DAO P14920 1/20 0.50
CYP2C19 P33261 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL4285186 0.84 ALDH1A1 (0.68) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL13058838 0.81 POLB (0.64) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL7180322 0.79 ALDH1A1 (0.72) POLBALDH1A1HPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL31323921 0.78 POLB (0.60) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL3069389 0.78 ALDH1A1 (0.60) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL11754791 0.77 POLB (1.00) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL7180515 0.77 ALDH1A1 (0.63) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL8434543 0.77 CYP2C19 (0.72) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL3183222 0.77 ALDH1A1 (0.79) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL10033958 0.76 POLB (0.67) POLBALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018059-A2 L-THIAZOLIDINE-4-CARBOXYLIC ACID DERIVATIVE, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF IN THERAPY POLI INDUSTRIA CHIMICA S.P.A. (IT) 1993-09-16 WO claimed