SCHEMBL28969735

SCHEMBL28969735

CC(C)C1CN1S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCC[C@@H]3C(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.43
MMP3 P08254 5/20 0.43
MMP9 P14780 4/20 0.43
MMP13 P45452 3/20 0.43
MMP2 P08253 2/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
ADAM17 P78536 1/20 0.43
LMNA P02545 2/20 0.42
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
KMT2A Q03164 1/20 0.41
MMP7 P09237 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL10037152 0.81 GAA (0.51) LMNAHTTTSHRCYP3A4GAA
SCHEMBL10037151 0.80 TRPA1 (0.61) LMNAKMT2ASMN1; SMN2HTTTSHR
SCHEMBL7121012 0.79 HSD11B1 (0.56) MMP1MMP3MMP9MMP13MMP2
SCHEMBL7121014 0.79 HSD11B1 (0.56) MMP1MMP3MMP9MMP13MMP2
SCHEMBL16980492 0.79 TSHR (0.62) MMP9MMP2LMNAKMT2ASMN1; SMN2
SCHEMBL10037154 0.77 ALDH1A1 (0.55) LMNAKMT2AGAA
SCHEMBL19215141 0.74 ALDH1A1 (0.49) LMNAHCRTR1HCRTR2KMT2ATRPA1
SCHEMBL7118462 0.74 L3MBTL1 (0.50) MMP2LMNAKMT2AHTTTSHR
SCHEMBL21465092 0.74 L3MBTL1 (0.50) MMP2LMNAKMT2AHTTTSHR
SCHEMBL7118457 0.74 L3MBTL1 (0.50) MMP2LMNAKMT2AHTTTSHR

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
CN-115819768-B Reversibly bonded polysulfide and preparation method thereof 广东工业大学 2023-04-21 CN disclosed
CN-115819768-A Reversible adhesive polysulfide and preparation method thereof 广东工业大学 2023-03-21 CN disclosed