SCHEMBL4022075

SCHEMBL4022075

O=C(O)C(c1ccccc1Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
ACP3 P15309 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCL8 P10145 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL29082971 0.83 ATM (0.43) KMT2AALDH1A1TDP1TSHRHSD17B10
SCHEMBL29082972 0.83 ATM (0.43) KMT2AALDH1A1TDP1TSHRHSD17B10
SCHEMBL5691638 0.82 SRC (0.58) SRCACP3MEN1KMT2ACXCL8
SCHEMBL11092157 0.76 SRC (0.64) SRCMMP1MMP9MMP13ALDH1A1
SCHEMBL3446823 0.76 ATM (0.42) ACP3ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL7416446 0.73 GLA (0.47) MEN1KMT2AALDH1A1TDP1HSD17B10
SCHEMBL5672285 0.72 TDP1 (0.40) ACP3MEN1KMT2ACXCL8ALDH1A1
SCHEMBL7495927 0.72 TDP1 (0.40) ACP3MEN1KMT2ACXCL8ALDH1A1
SCHEMBL11206828 0.71 SRC (0.44) SRCACP3CXCL8ALDH1A1LMNA
SCHEMBL1244293 0.71 SRC (0.50) SRCACP3MEN1KMT2ACXCL8

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-2078025-A2 PROCESS FOR THE SYNTHESIS OF CLOPIDOGREL AND NEW FORMS OF PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-07-15 EP disclosed
WO-2008034912-A2 PROCESS FOR THE SYNTHESIS OF CLOPIDOGREL AND NEW FORMS OF PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-03-27 WO disclosed