SCHEMBL23403194

SCHEMBL23403194

CCCCc1[nH]n(C)c(=O)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TYMP P19971 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ DAO P14920 1/20 0.30

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
SCHEMBL23400049 0.94 TYMP (0.37) KDM4EHTTTYMPALDH1A1LMNA
SCHEMBL23403009 0.93 TYMP (0.36) KDM4ETYMPALDH1A1LMNAHPGD
SCHEMBL23401208 0.90 TYMP (0.33) KDM4ETYMPALOX5
SCHEMBL23399984 0.89 TYMP (0.33) KDM4ESMN1; SMN2TYMPALDH1A1LMNA
SCHEMBL23403029 0.85 TYMP (0.36) KDM4EHTTTYMPALDH1A1LMNA
SCHEMBL23399703 0.85 POLB (0.33) KDM4ETYMP
SCHEMBL23403381 0.83 GRM5 (0.31) —
SCHEMBL23398726 0.82 PDE4A (0.37) KDM4ETYMPALDH1A1LMNAHPGD
SCHEMBL23401698 0.82 ALDH1A1 (0.32) KDM4EHTTTYMPALDH1A1LMNA
SCHEMBL23401055 0.81 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1HPGD

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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