SCHEMBL10756282

SCHEMBL10756282

C[C@H](O)c1ccc(S(=O)(=O)CC2COC(C)(C)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.41
MMP2 P08253 8/20 0.41
CA2 P00918 2/20 0.40
AOC2 O75106 3/20 0.39
MAOB P27338 2/20 0.39
MMP1 P03956 4/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10759609 1.00 MMP9 (0.41) MMP9MMP2CA2AOC2MAOB
SCHEMBL10754514 1.00 MMP9 (0.41) MMP9MMP2CA2AOC2MAOB
SCHEMBL10756278 1.00 MMP9 (0.41) MMP9MMP2CA2AOC2MAOB
SCHEMBL10759616 1.00 MMP9 (0.41) MMP9MMP2CA2AOC2MAOB
SCHEMBL10761062 0.89 MMP9 (0.39) MMP9MMP2CA2AOC2MAOB
SCHEMBL10761067 0.89 MMP9 (0.39) MMP9MMP2CA2AOC2MAOB
SCHEMBL10761558 0.82 MMP9 (0.37) MMP9MMP2CA2AOC2MAOB
SCHEMBL2115284 0.82 CRBN (0.45) MMP9MMP2CA2AOC2MAOB
SCHEMBL2115280 0.82 CRBN (0.45) MMP9MMP2CA2AOC2MAOB
SCHEMBL27802097 0.81 CRBN (0.44) MMP9MMP2CA2AOC2MAOB

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
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed