SCHEMBL31399739

SCHEMBL31399739

CC(C)(C)OC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3c(OC(F)F)nccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.46
▸ SIGMAR1 Q99720 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CHRM1 P11229 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL31399729 0.88 TGM2 (0.46) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399707 0.86 TGM2 (0.49) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399689 0.86 TGM2 (0.44) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399750 0.86 TGM2 (0.64) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399736 0.85 TGM2 (0.49) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399709 0.84 TGM2 (0.54) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399713 0.83 ROCK2 (0.41) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399759 0.83 TGM2 (0.43) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399728 0.82 MAPK8 (0.50) TGM2SIGMAR1MAPK8FNTAFNTB
SCHEMBL31399737 0.81 TGM2 (0.49) TGM2SIGMAR1MAPK8FNTAFNTB

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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