SCHEMBL28348775

SCHEMBL28348775

CCS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.58
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MMP13 P45452 2/20 0.52
▸ POLB P06746 1/20 0.51

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
SCHEMBL28352943 0.87 RORC (0.61) RORCCA1CA2ALDH1A1GAA
SCHEMBL30531889 0.87 RORC (0.61) RORCCA1CA2ALDH1A1GAA
SCHEMBL28352398 0.86 RORC (0.61) RORCCA1CA2ALDH1A1GAA
SCHEMBL29488705 0.83 RORC (0.71) RORCCA1CA2ALDH1A1POLB
SCHEMBL30531891 0.81 ALDH1A1 (0.55) RORCALDH1A1
SCHEMBL28349310 0.81 ALDH1A1 (0.55) RORCALDH1A1
SCHEMBL23224423 0.78 LOX (0.54) CA1CA2ALDH1A1GAAPOLB
SCHEMBL7235420 0.77 LMNA (0.65) ALDH1A1MMP13
SCHEMBL3029989 0.76 CFD (0.69) ALDH1A1GAAHSD17B10MMP13POLB
SCHEMBL10789252 0.76 SMN1; SMN2 (0.56) GAAHSD17B10MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024319-A Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-11-10 — — CN disclosed
CN-110724075-B Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-09-12 — — CN disclosed
CN-110724075-A Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-01-24 — — CN disclosed
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