SCHEMBL25980360

SCHEMBL25980360

COc1ccc(C2CCC(C=O)CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.41
▸ PDE4B Q07343 7/20 0.41
▸ PDE4C Q08493 6/20 0.41
▸ PDE4D Q08499 6/20 0.41
▸ QDPR P09417 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SSTR4 P31391 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ DPP4 P27487 1/20 0.36

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
SCHEMBL18663812 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL18640033 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL16553704 0.87 QDPR (0.46) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL14864496 0.84 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL20501161 0.84 MRGPRX4 (0.41) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL20500519 0.84 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL25980344 0.84 MRGPRX4 (0.41) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL20500607 0.84 MRGPRX4 (0.41) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL22596194 0.83 NR3C1 (0.42) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL21876219 0.81 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056271-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-10-29 — — CN disclosed
CN-110637011-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-05-14 — — CN disclosed
CN-110637015-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-04-02 — — CN disclosed
EP-3596053-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-08-16 — — EP disclosed
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