SCHEMBL7531009

SCHEMBL7531009

CN1CCC([C@H](C(=O)NO)N(C)S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
HTR2A P28223 4/20 0.48
HTR2C P28335 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MMP1 P03956 9/20 0.43
ADAM17 P78536 2/20 0.43
MMP13 P45452 6/20 0.42
MMP9 P14780 4/20 0.42
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP8 P22894 1/20 0.42
DUT P33316 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 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
SCHEMBL7531012 1.00 ADAMTS7 (0.51) ADAMTS7ADAMTS5HTR2AHTR2CL3MBTL1
SCHEMBL7537049 0.90 MMP9 (0.50) ADAMTS7ADAMTS5HTR2AHTR2CL3MBTL1
SCHEMBL7537041 0.90 MMP9 (0.50) ADAMTS7ADAMTS5HTR2AHTR2CL3MBTL1
SCHEMBL7534389 0.89 ADAMTS7 (0.47) ADAMTS7ADAMTS5MMP1ADAM17MMP13
SCHEMBL7534393 0.89 ADAMTS7 (0.47) ADAMTS7ADAMTS5MMP1ADAM17MMP13
SCHEMBL7534476 0.87 MMP1 (0.46) ADAMTS7ADAMTS5MMP1ADAM17MMP13
SCHEMBL7534479 0.87 MMP1 (0.46) ADAMTS7ADAMTS5MMP1ADAM17MMP13
SCHEMBL7536591 0.80 MMP13 (0.51) ADAMTS7ADAMTS5MMP1ADAM17MMP13
SCHEMBL7536587 0.80 MMP13 (0.51) ADAMTS7ADAMTS5MMP1ADAM17MMP13
SCHEMBL7532099 0.79 L3MBTL1 (0.46) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G

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-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US claimed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO claimed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO disclosed