SCHEMBL11264990

SCHEMBL11264990

Cc1ccc(S(=O)(=O)O[C@H](CO)CCl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 6/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
G6PD P11413 1/20 0.37
AGER Q15109 1/20 0.37
DHODH Q02127 1/20 0.36
VDR P11473 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7806253 0.90 GAA (0.43) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL13160700 0.90 GAA (0.43) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL21803204 0.85 STAT3 (0.40) GAAALDH1A1CA1CA2CYP3A4
Acetone SCHEMBL11517974 0.85 ALDH1A1 (0.41) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL7147511 0.84 CA2 (0.40) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL23395839 0.83 CA2 (0.45) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL3446919 0.83 STAT3 (0.41) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL29245112 0.83 CA2 (0.45) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL20746510 0.81 KMT2A (0.42) GAAALDH1A1CA1CA2CYP3A4
SCHEMBL22656000 0.81 KMT2A (0.42) GAAALDH1A1CA1CA2CYP3A4

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
EP-0060595-A2 Method for preparing L-carnitine ANIC S.p.A. (IT) 1982-09-22 EP disclosed