SCHEMBL7763707

SCHEMBL7763707

O=C(O)C1NCCSC1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP2 P08253 10/20 0.44
MMP9 P14780 9/20 0.44
MMP14 P50281 8/20 0.44
MMP1 P03956 6/20 0.44
MMP3 P08254 6/20 0.44
MMP7 P09237 3/20 0.44
MMP8 P22894 2/20 0.44
ADAM17 P78536 1/20 0.44
MMP13 P45452 10/20 0.43
SOS1 Q07889 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
GRIK2 Q13002 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7758754 0.91 MMP1 (0.46) LMNASMN1; SMN2ALDH1A1MMP2MMP9
SCHEMBL7347615 0.86 MMP2 (0.43) LMNASMN1; SMN2ALDH1A1MMP2MMP9
SCHEMBL14843811 0.78 CYP1A2 (0.39) SMN1; SMN2ALDH1A1MMP2CA12CA1
SCHEMBL21358891 0.69 MAPT (0.37) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL8596180 0.68 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MMP2MMP9
SCHEMBL1529244 0.66 LMNA (0.48) LMNASMN1; SMN2MMP2MMP9MMP14
SCHEMBL6629126 0.66 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MMP2MMP9
SCHEMBL27388988 0.65 CA1 (0.39) LMNAMMP2MMP9MMP14MMP1
SCHEMBL10582343 0.64 HRH1 (0.43)
SCHEMBL5286679 0.64 HRH1 (0.43)

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed