SCHEMBL23400402

SCHEMBL23400402

CCc1c(C(C)(C)C)[nH]n(CC)c1=O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ FPR1 P21462 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL23401582 0.85 SMN1; SMN2 (0.33) —
SCHEMBL23400682 0.85 TYMP (0.30) KDM5A
SCHEMBL23399882 0.82 PDE4A (0.36) —
SCHEMBL23399124 0.82 SMN1; SMN2 (0.34) HPGD
SCHEMBL23398877 0.82 DCTPP1 (0.34) HPGD
SCHEMBL23401969 0.78 MEN1 (0.31) HPGD
SCHEMBL23398894 0.78 — —
SCHEMBL23400790 0.77 GAA (0.32) CYP2C19
SCHEMBL23399878 0.74 ALDH1A1 (0.36) CYP1A2HPGDFPR1KDM5ACYP2C19
SCHEMBL23399977 0.74 KDM4E (0.32) HPGD

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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