SCHEMBL31615587

SCHEMBL31615587

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ ALOX5AP P20292 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HCAR3 P49019 2/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40

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
SCHEMBL31615845 0.91 ALDH1A1 (0.48) NPC1ALDH1A1LMNAALOX12NPSR1
SCHEMBL14453645 0.86 MAPT (0.48) ALOX5APALDH1A1FEN1LMNANPSR1
SCHEMBL14569498 0.85 PLA2G4B (0.46) DPP4ALDH1A1KDM4EPLA2G4BLMNA
SCHEMBL5155609 0.85 DPP4 (0.49) DPP4NPC1ALOX5APFEN1
SCHEMBL14611262 0.85 HCAR3 (0.45) DPP4ALDH1A1KDM4EPLA2G4BLMNA
SCHEMBL5151871 0.84 DPP4 (0.54) DPP4ALOX5APFEN1
SCHEMBL5151872 0.84 DPP4 (0.54) DPP4ALOX5APFEN1
SCHEMBL14557797 0.83 DPP4 (0.43) DPP4ALDH1A1KDM4EPLA2G4BLMNA
SCHEMBL31360255 0.80 LMNA (0.37) NPC1ALOX5APALDH1A1KDM4ELMNA
SCHEMBL30344383 0.80 LMNA (0.37) NPC1ALOX5APALDH1A1KDM4ELMNA

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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