SCHEMBL23400010

SCHEMBL23400010

Cc1c[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL23400486 0.79 BRD4 (0.44) GAACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL23402148 0.76 GRIN2D (0.31) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399518 0.75 MEN1 (0.42) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399793 0.72 GAA (0.44) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23402424 0.72 KDM5A (0.34)
SCHEMBL23402882 0.70 KMT2A (0.40) GAAALDH1A1MEN1KMT2A
SCHEMBL23399545 0.70 DAO (0.31) ALDH1A1
SCHEMBL23399082 0.69 KDM5A (0.32)
SCHEMBL8404394 0.69
SCHEMBL23402317 0.67 CTRC (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