SCHEMBL23402148

SCHEMBL23402148

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

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23399545 0.88 DAO (0.31) ALDH1A1
SCHEMBL23402317 0.85 CTRC (0.33) ALDH1A1
SCHEMBL23399082 0.83 KDM5A (0.32)
SCHEMBL23400010 0.76 GAA (0.35) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23401678 0.73
SCHEMBL23401022 0.71 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23402424 0.71 KDM5A (0.34)
SCHEMBL23400748 0.68 KDM5A (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23402060 0.68 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23400389 0.65 SMN1; SMN2 (0.35) ALDH1A1MEN1KMT2A

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