SCHEMBL30966515

SCHEMBL30966515

CCOc1cc(C(=O)O)cc(NCC2CCO2)c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 3/20 0.43
▸ ALOX12 P18054 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HCAR3 P49019 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TSHR P16473 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
SCHEMBL30966520 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTALOX12NPSR1
SCHEMBL29258840 0.88 HCAR3 (0.43) ALDH1A1KDM4EMAPTHCAR3PKM
SCHEMBL29258838 0.88 HCAR3 (0.43) ALDH1A1KDM4EMAPTHCAR3PKM
SCHEMBL27176958 0.88 HCAR3 (0.39) ALDH1A1KDM4EMAPTALOX12NPSR1
SCHEMBL27205413 0.88 HCAR3 (0.39) ALDH1A1KDM4EMAPTALOX12NPSR1
SCHEMBL29157312 0.83 HCAR3 (0.46) ALDH1A1KDM4EMAPTHCAR3HPGD
SCHEMBL29157314 0.83 HCAR3 (0.46) ALDH1A1KDM4EMAPTHCAR3HPGD
SCHEMBL30966512 0.83 HCAR3 (0.51) ALDH1A1KDM4EMAPTALOX12NPSR1
SCHEMBL28754443 0.80 HCAR3 (0.46) ALDH1A1KDM4EMAPTHCAR3GAA
SCHEMBL28754455 0.80 HCAR3 (0.46) ALDH1A1KDM4EMAPTHCAR3GAA

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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