SCHEMBL23399977

SCHEMBL23399977

CCc1[nH]n(CC)c(=O)c1CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL23401727 0.86 — —
SCHEMBL23399919 0.86 TYMP (0.32) —
SCHEMBL23401153 0.83 SMN1; SMN2 (0.36) KDM4EALDH1A1HPGD
SCHEMBL23403575 0.83 TYMP (0.32) KDM4E
SCHEMBL23401863 0.83 TYMP (0.35) KDM4EALDH1A1HPGD
SCHEMBL23400135 0.83 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL23401687 0.80 SMN1; SMN2 (0.36) ALDH1A1HPGD
SCHEMBL23402298 0.80 PDE4A (0.38) —
SCHEMBL23399878 0.78 ALDH1A1 (0.36) KDM4EALDH1A1HPGD
SCHEMBL23403594 0.78 HSD17B10 (0.31) —

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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