SCHEMBL31615845

SCHEMBL31615845

COC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ UCHL1 P09936 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ VCAM1 P19320 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL31615587 0.91 DPP4 (0.45) ALDH1A1NPSR1NPC1LMNAALOX12
SCHEMBL5152035 0.86 LMNA (0.44) NPSR1UCHL1USP30NPC1LMNA
SCHEMBL31615928 0.85 NPC1 (0.47) ALDH1A1HPGDNPSR1UCHL1USP30
SCHEMBL5156379 0.85 ALOX5AP (0.46) UCHL1USP30NPC1OPRK1
SCHEMBL14453645 0.84 MAPT (0.48) ALDH1A1HPGDNPSR1LMNASMN1; SMN2
SCHEMBL5155000 0.82 HPGD (0.44) ALDH1A1HPGDNPSR1UCHL1USP30
SCHEMBL30344830 0.81 PDGFRB (0.41) ALDH1A1NPSR1UCHL1USP30NPC1
SCHEMBL5151622 0.80 NPC1 (0.47) UCHL1USP30NPC1MAPT
SCHEMBL3319038 0.80 ALOX5AP (0.46) ALDH1A1NPSR1USP30NPC1LMNA
SCHEMBL3319033 0.80 ALOX5AP (0.46) ALDH1A1NPSR1USP30NPC1LMNA

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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