SCHEMBL23400137

SCHEMBL23400137

CCCCc1[nH]n(C(C)(C)C)c(=O)c1CCCC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ MAPT P10636 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
SCHEMBL23401191 0.95 KDM4E (0.32) TYMPKDM4E
SCHEMBL23399431 0.95 TYMP (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403204 0.92 TYMP (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23399954 0.92 KDM4E (0.32) TYMPKDM4E
SCHEMBL23398654 0.86 GAA (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403279 0.86 — —
SCHEMBL23400367 0.86 KDM4E (0.32) TYMPKDM4ENPC1RAB9A
SCHEMBL23402696 0.86 KDM4E (0.31) TYMPKDM4EALDH1A1GAACYP2C9
SCHEMBL23398911 0.84 GAA (0.40) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23398983 0.81 KDM4E (0.33) TYMPKDM4EALDH1A1LMNAHPGD

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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