SCHEMBL31615904

SCHEMBL31615904

CC(C)(C)OC(=O)N1CC(C)(Oc2ccc(C(=O)O)cc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ HCAR3 P49019 3/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL31615799 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31615924 0.80 CASP6 (0.46) TTRMAPTALDH1A1LMNATSHR
SCHEMBL30929528 0.79 ALDH1A1 (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31615792 0.77 TOP2A (0.49) CASP6HCAR3GPR119
SCHEMBL26767364 0.77 ALDH1A1 (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31316605 0.77 ALDH1A1 (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31615734 0.74 CASP6 (0.58) TTRMAPTALDH1A1LMNATSHR
SCHEMBL31316657 0.73 RORC (0.46) MAPTALDH1A1LMNATSHRGPR119
SCHEMBL31615801 0.72 USP2 (0.45) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL25852982 0.71 CASP6 (0.54) TTRMAPTALDH1A1LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 — — WO disclosed
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