SCHEMBL23398703

SCHEMBL23398703

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ PKM P14618 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ SHMT2 P34897 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL23403459 0.92 TYMP (0.34) TYMPMAPTKDM4EPKMNPC1
SCHEMBL23399137 0.90 TYMP (0.30) TYMP
SCHEMBL23401965 0.87 KDM4E (0.33) TYMPMAPTKDM4EPKMNPC1
SCHEMBL23402883 0.87 TYMP (0.30) TYMP
SCHEMBL23400643 0.87 TYMP (0.30) TYMP
SCHEMBL23398960 0.84 KDM4E (0.30) KDM4E
SCHEMBL23399171 0.83 NPC1 (0.37) TYMPMAPTKDM4EPKMNPC1
SCHEMBL23398584 0.81 KDM4E (0.32) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23403603 0.80 TYMP (0.33) TYMPMAPTKDM4EPKMNPC1
SCHEMBL23399367 0.79 — —

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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