SCHEMBL23400189

SCHEMBL23400189

CCCCc1c(C(C)C)[nH]n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ DCTPP1 Q9H773 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HPD P32754 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ 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
SCHEMBL23403627 0.89 TYMP (0.31) TYMP
SCHEMBL23400855 0.85 TYMP (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23399437 0.85 PDE4A (0.36) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23402748 0.83 TYMP (0.34) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23399873 0.82 MEN1 (0.31) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23403603 0.81 TYMP (0.33) TYMPKDM4EPKMDCTPP1FFAR1
SCHEMBL23400766 0.80 ALDH1A1 (0.33) TYMPKDM4EALDH1A1HPGDPKM
SCHEMBL23401753 0.79 TYMP (0.32) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23400903 0.78 NPC1 (0.39) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23400049 0.77 TYMP (0.37) 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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