SCHEMBL8425323

SCHEMBL8425323

CC(=O)N(O)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(CC2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.50
MMP9 P14780 8/20 0.50
MMP13 P45452 8/20 0.50
ADAM17 P78536 8/20 0.50
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
ADAMTS4 O75173 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.40

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
SCHEMBL8428232 0.92 MMP9 (0.45) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL8428183 0.79 MMP1 (0.53) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL27477097 0.77 MMP1 (0.47) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7302817 0.77 MMP1 (0.67) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7301752 0.76 MMP1 (0.52) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7303679 0.73 MMP13 (0.67) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL8425264 0.70 MMP1 (0.44) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7310514 0.69 MMP1 (0.49) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL5919626 0.69 MMP9 (0.67) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7405390 0.69 MMP13 (0.78) MMP1MMP9MMP13ADAM17MMP2

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed