SCHEMBL30966512

SCHEMBL30966512

CCOc1cc(C(=O)O)cc(NCC2CCO2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.51
▸ ALDH1A1 P00352 9/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 10/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL30966502 0.91 ALDH1A1 (0.44) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL29170125 0.89 HCAR3 (0.53) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL29170127 0.89 HCAR3 (0.53) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL27205213 0.89 HCAR3 (0.47) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL27176916 0.89 HCAR3 (0.47) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL29170097 0.84 HCAR3 (0.44) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL30966515 0.83 ALDH1A1 (0.47) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL23273542 0.81 HCAR3 (0.55) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL23273541 0.81 HCAR3 (0.55) HCAR3ALDH1A1KDM4EKMT2AMAPT
SCHEMBL30087168 0.81 MAPT (0.46) HCAR3ALDH1A1KDM4EKMT2AMAPT

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-4615573-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-09-17 — — EP disclosed
WO-2024102625-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-16 — — WO disclosed
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