SCHEMBL30529281

SCHEMBL30529281

CCN(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ SLC16A3 O15427 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ SLC16A1 P53985 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAOB P27338 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ATM Q13315 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ AR P10275 1/20 0.42

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
SCHEMBL25427065 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDSLC16A3
SCHEMBL30529282 0.85 MAOB (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDSLC16A3
SCHEMBL25426199 0.85 MAOB (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDSLC16A3
SCHEMBL31273615 0.84 SLC16A3 (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDSLC16A3
SCHEMBL10330642 0.76 DAO (0.63) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL31423115 0.76 DAO (0.63) ALDH1A1KDM4EHPGDHSD17B10CYP2C19
SCHEMBL31272773 0.76 DAO (0.51) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL29609392 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL28590063 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30475158 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDMEN1

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-116472269-A Compositions and methods for treating muscular dystrophy 加利福尼亚大学董事会 2023-07-21 — — CN disclosed
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