SCHEMBL7872276

SCHEMBL7872276

CC#CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.53
MMP13 P45452 10/20 0.53
MMP1 P03956 8/20 0.52
MMP9 P14780 8/20 0.52
MMP14 P50281 2/20 0.52
MMP2 P08253 2/20 0.52
LMNA P02545 1/20 0.48
ADAM10 O14672 1/20 0.47
MMP7 P09237 1/20 0.47
MMP8 P22894 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7879785 0.98 ADAM17 (0.52) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3944455 0.89 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3947785 0.89 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3944450 0.89 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3937331 0.87 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7354194 0.81 SMN1; SMN2 (0.61) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7377489 0.81 SMN1; SMN2 (0.61) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7354199 0.81 SMN1; SMN2 (0.61) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7354188 0.81 SMN1; SMN2 (0.61) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7377492 0.81 SMN1; SMN2 (0.61) ADAM17MMP13MMP1MMP9MMP14

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
US-6326516-B1 RHEUMATIC DISEASES; SEPSIS; ANTIULCER AGENTS AMERICAN CYANAMID COMPANY 2001-12-04 US disclosed