SCHEMBL28969725

SCHEMBL28969725

O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1)N1CC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.62
PSEN2 P49810 1/20 0.62
APH1B Q8WW43 1/20 0.62
NCSTN Q92542 1/20 0.62
APH1A Q96BI3 1/20 0.62
PSENEN Q9NZ42 1/20 0.62
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 3/20 0.61
RAB9A P51151 1/20 0.61
TRPA1 O75762 1/20 0.56
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 4/20 0.49
MMP8 P22894 2/20 0.46
MMP3 P08254 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MMP1 P03956 2/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL6180588 0.84 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6180584 0.84 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6177624 0.80 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6175850 0.80 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6177618 0.80 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6175853 0.80 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1795644 0.79 ALDH1A1 (0.71) ALDH1A1KMT2ARAB9ALMNAMMP3
SCHEMBL12615015 0.78 ALDH1A1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17368844 0.76 ALDH1A1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6176840 0.75 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A

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