SCHEMBL23399984

SCHEMBL23399984

CCCCc1[nH]n(C)c(=O)c1CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 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 0.91 TYMP (0.37) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403194 0.89 KDM4E (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23401055 0.89 KDM4E (0.33) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23403029 0.85 TYMP (0.36) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403009 0.85 TYMP (0.36) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403381 0.83 GRM5 (0.31) —
SCHEMBL23401176 0.82 PDE4A (0.37) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403132 0.82 SMN1; SMN2 (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23401585 0.82 MEN1 (0.33) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL23403575 0.80 TYMP (0.32) TYMPKDM4EPKMNPC1RAB9A

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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