SCHEMBL8498342

SCHEMBL8498342

COC(=O)[C@]1(S(=O)(=O)c2ccccc2)C[C@H](OC)CN1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
TSHR P16473 11/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RECQL P46063 1/20 0.38
CYP3A4 P08684 10/20 0.38
CYP2C9 P11712 8/20 0.38
CYP2C19 P33261 6/20 0.38
CYP1A2 P05177 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 4/20 0.37
PKM P14618 2/20 0.37
HSD17B10 Q99714 4/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL8498357 0.84 MMP2 (0.37) CYP3A4CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL8527277 0.84 CHRM4 (0.38) CYP3A4CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL8501600 0.77 MMP2 (0.35) CYP3A4CYP2C9CYP2C19PKMCYP2D6
SCHEMBL8499616 0.76 MMP2 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL8501412 0.76 CYP2C19 (0.36) SMN1; SMN2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8498339 0.75 MMP9 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL8501553 0.74 MMP2 (0.37) CYP3A4CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL8502529 0.74 USP30 (0.37) MMP1MMP9MMP13MMP3
SCHEMBL16865191 0.72 MAPT (0.41) TSHRSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL14535740 0.70 TSHR (0.42) TSHRSMN1; SMN2RECQLCYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927161-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008815-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed