SCHEMBL23403419

SCHEMBL23403419

CCCc1c(C)[nH]n(C(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 4/20 0.34
▸ DCTPP1 Q9H773 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ TYMP P19971 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM5A P29375 1/20 0.31

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
SCHEMBL23399171 0.91 NPC1 (0.37) KDM4EGAADCTPP1TYMPMEN1
SCHEMBL23401480 0.85 ALDH1A1 (0.35) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL23402055 0.80 TYMP (0.30) TYMP
SCHEMBL23399137 0.80 TYMP (0.30) TYMP
SCHEMBL23400823 0.79 KDM5A (0.33) KDM5A
SCHEMBL23400643 0.77 TYMP (0.30) TYMP
SCHEMBL23398697 0.77 — —
SCHEMBL23403257 0.77 — —
SCHEMBL23403459 0.75 TYMP (0.34) KDM4EDCTPP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL23403025 0.75 KDM4E (0.42) KDM4EGAADCTPP1SMN1; SMN2ALDH1A1

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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