SCHEMBL23400682

SCHEMBL23400682

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.30
▸ KDM5A P29375 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
SCHEMBL23398877 0.90 DCTPP1 (0.34) TYMP
SCHEMBL23401372 0.88 ALDH1A1 (0.32) —
SCHEMBL23400402 0.85 CYP1A2 (0.30) KDM5A
SCHEMBL23400620 0.85 PDE4A (0.35) —
SCHEMBL23400998 0.83 SMN1; SMN2 (0.33) —
SCHEMBL23400050 0.80 TYMP (0.31) TYMP
SCHEMBL23399492 0.79 KDM4E (0.31) TYMP
SCHEMBL23400143 0.78 KDM4E (0.37) TYMP
SCHEMBL23402192 0.78 KDM4E (0.34) TYMP
SCHEMBL10878921 0.76 KDM4E (0.41) TYMPKDM5A

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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