SCHEMBL23401372

SCHEMBL23401372

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ POLB P06746 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
SCHEMBL23400620 0.90 PDE4A (0.35) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23402192 0.90 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL23401582 0.88 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL23400682 0.88 TYMP (0.30) —
SCHEMBL23400143 0.83 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23400050 0.82 TYMP (0.31) —
SCHEMBL23400636 0.82 HTT (0.33) —
SCHEMBL23400998 0.82 SMN1; SMN2 (0.33) ALDH1A1MEN1KMT2APOLB
SCHEMBL23402563 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23399324 0.79 ALDH1A1 (0.33) ALDH1A1

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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