SCHEMBL7417307

SCHEMBL7417307

CCCCOc1ccc(S(=O)(=O)NCCC(=O)NO)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.76
MMP13 P45452 3/20 0.76
MMP2 P08253 3/20 0.76
ADAMTS4 O75173 2/20 0.76
MMP14 P50281 2/20 0.76
ADAMTS5 Q9UNA0 2/20 0.76
MMP9 P14780 2/20 0.68
ADAM17 P78536 2/20 0.68
MEP1B Q16820 1/20 0.59
HDAC1 Q13547 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
PDE4A P27815 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL7414039 0.86 MMP1 (1.00) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL7417568 0.83 MMP13 (0.71) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL6329759 0.82 ADAMTS4 (0.64) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL3944045 0.81 ADAM17 (1.00) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL23649053 0.81 MMP13 (0.57) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL7420446 0.80 MMP1 (0.70) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL8108648 0.80 MMP1 (0.70) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL27560158 0.80 ALDH1A1 (0.56) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL6323398 0.80 ADAMTS4 (0.61) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL9078385 0.79 MEN1 (0.63) MMP1MMP13MMP2ADAMTS4MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed