SCHEMBL30573232

SCHEMBL30573232

COC(C(=O)O)c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 1/20 0.53
▸ CPB2 Q96IY4 1/20 0.53
▸ KYNU Q16719 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL1104877 1.00 CPN1 (0.53) CPN1CPB2KYNUKDM4EALDH1A1
SCHEMBL1366779 1.00 CPN1 (0.53) CPN1CPB2KYNUKDM4EALDH1A1
SCHEMBL1366777 1.00 CPN1 (0.53) CPN1CPB2KYNUKDM4EALDH1A1
SCHEMBL758770 0.82 CPN1 (0.53) CPN1CPB2KYNUALDH1A1L3MBTL1
SCHEMBL2190991 0.81 CPN1 (0.44) CPN1CPB2KDM4EALDH1A1L3MBTL1
SCHEMBL5038096 0.81 KYNU (0.55) KYNUKDM4EALDH1A1CYP3A4PPARA
SCHEMBL6611635 0.81 ACP3 (0.47) KDM4EL3MBTL1PPARALMNA
SCHEMBL14159225 0.79 ALDH1A1 (0.49) KDM4EALDH1A1L3MBTL1KMT2APPARA
SCHEMBL1145682 0.79 L3MBTL1 (0.56) L3MBTL1LMNA
SCHEMBL18890289 0.79 L3MBTL1 (0.56) L3MBTL1LMNA

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
CN-116602950-A Methods of treating fibrosis 诺格拉制药有限公司 2023-08-18 — — CN disclosed
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