SCHEMBL8425264

SCHEMBL8425264

CC(=O)N(O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.44
MMP13 P45452 7/20 0.44
MMP9 P14780 6/20 0.44
MMP2 P08253 4/20 0.44
MMP3 P08254 4/20 0.44
MMP8 P22894 4/20 0.44
LMNA P02545 3/20 0.42
MCL1 Q07820 2/20 0.40
MMP14 P50281 3/20 0.39
HTT P42858 2/20 0.39
BCL2L1 Q07817 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOS1 Q07889 1/20 0.38
PGR P06401 1/20 0.38
ADAM17 P78536 2/20 0.38
PTGES O14684 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP7 P09237 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
SCHEMBL8428183 0.82 MMP1 (0.53) MMP1MMP13MMP9MMP2MMP3
SCHEMBL8428232 0.79 MMP9 (0.45) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7308211 0.71 MMP1 (0.76) MMP1MMP13MMP9MMP2MMP3
SCHEMBL8425323 0.70 MMP1 (0.50) MMP1MMP13MMP9MMP2MMP3
SCHEMBL16087984 0.68 MMP13 (0.58) MMP1MMP13MMP9MMP2MMP3
SCHEMBL4294133 0.67 LMNA (0.50) MMP1MMP13MMP9MMP2MMP3
SCHEMBL8425462 0.64 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL4294130 0.64 LMNA (0.50) MMP1MMP13MMP9MMP2MMP3
SCHEMBL15625452 0.62 BCL2L1 (0.62) MMP1MMP13MMP9MMP2MMP3
Diphenylether SCHEMBL1830446 0.62 LTA4H (0.67) SMN1; SMN2

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