SCHEMBL23401969

SCHEMBL23401969

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 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
SCHEMBL23400050 0.85 TYMP (0.31) —
SCHEMBL23400976 0.82 KDM4E (0.35) ALDH1A1KDM4EHPGD
SCHEMBL23401582 0.79 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL23401040 0.79 PDE2A (0.30) —
SCHEMBL23400790 0.78 GAA (0.32) MEN1KMT2AALDH1A1
SCHEMBL23400402 0.78 CYP1A2 (0.30) HPGD
SCHEMBL23399882 0.77 PDE4A (0.36) MEN1KMT2A
SCHEMBL23400841 0.76 — —
SCHEMBL23401416 0.72 ALDH1A1 (0.37) MEN1KMT2AGLAALDH1A1KDM4E
SCHEMBL23403429 0.72 NOX4 (0.32) KDM4E

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
Send feedback