SCHEMBL23400541

SCHEMBL23400541

CC(C)n1[nH]c(C(C)(C)C)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ABCC9 O60706 1/20 0.41
▸ ABCC8 Q09428 1/20 0.41
▸ KCNJ11 Q14654 1/20 0.41
▸ KCNJ8 Q15842 1/20 0.41
▸ TYMP P19971 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ DAO P14920 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23399391 0.72 DAO (0.39) ALDH1A1LMNADAOGAAHPGD
SCHEMBL9498657 0.72 KDM4E (0.40) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL23402512 0.72 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMAPTBLM
SCHEMBL21305806 0.71 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMAPTBLM
SCHEMBL23403632 0.68 ALDH1A1 (0.47) ALDH1A1LMNAPOLBMAPTBLM
SCHEMBL23398944 0.68 DAO (0.35) ALDH1A1DAOGAA
SCHEMBL23401067 0.67 DAO (0.43) ALDH1A1POLBMAPTDAOGAA
SCHEMBL23401929 0.65 ALDH1A1 (0.45) ALDH1A1LMNAPOLBMAPTBLM
SCHEMBL23401344 0.64 MEN1 (0.50) ALDH1A1LMNAPOLBMAPTL3MBTL1
SCHEMBL7247120 0.64 ALDH1A1 (1.00) ALDH1A1LMNAPOLBMAPTBLM

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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