SCHEMBL31399732

SCHEMBL31399732

COc1cccc2c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ TSHR P16473 2/20 0.65
▸ TGM2 P21980 10/20 0.54
▸ F13A1 P00488 8/20 0.54
▸ TGM1 P22735 5/20 0.54
▸ GAA P10253 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ MAPT P10636 1/20 0.47
▸ TGM3 Q08188 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL4266289 0.84 CNR1 (0.59) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL31399710 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL31399719 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL31399717 0.80 CHRM1 (0.54) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL31399716 0.80 CHRM1 (0.54) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL31399725 0.78 TSHR (0.50) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL13239816 0.78 TGM2 (0.59) TGM2F13A1TGM1MAPTTGM3
SCHEMBL19869960 0.77 TGM2 (0.65) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL16013381 0.77 GAA (0.65) ALDH1A1SMN1; SMN2TSHRTGM2F13A1
SCHEMBL5262401 0.77 TGM2 (0.51) TGM2F13A1TGM1TGM3

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-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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