SCHEMBL8428183

SCHEMBL8428183

CCN1CCC(N(O)C(C)=O)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.53
MMP9 P14780 12/20 0.53
MMP13 P45452 12/20 0.53
ADAM17 P78536 8/20 0.53
MMP2 P08253 4/20 0.48
MMP3 P08254 4/20 0.48
MMP8 P22894 3/20 0.48
MMP14 P50281 2/20 0.48
ADAMTS4 O75173 1/20 0.46
MMP7 P09237 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41

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 0.88 MMP9 (0.45) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL8425264 0.82 MMP1 (0.44) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL8425323 0.79 MMP1 (0.50) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7301736 0.75 MMP1 (0.70) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7405390 0.74 MMP13 (0.78) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7301052 0.72 MMP1 (0.54) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7405314 0.70 SMN1; SMN2 (0.76) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7406651 0.70 MMP13 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL16087985 0.70 MMP9 (0.51) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6567668 0.69 MMP9 (0.76) 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