SCHEMBL23399692

SCHEMBL23399692

Cc1ccc(-c2[nH]n(C)c(=O)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA2B P29275 4/20 0.42
ADORA2A P29274 3/20 0.42
ALKBH3 Q96Q83 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL23403346 0.85 KDM4E (0.57) KDM4EALDH1A1MAPTCYP2D6HPGD
SCHEMBL23401873 0.83 ADORA2A (0.41) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23401248 0.82 ADORA2B (0.38) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23401049 0.79 MAPK14 (0.41) KDM4EALDH1A1NPC1RAB9AALKBH3
SCHEMBL23403190 0.79 ADORA2A (0.40) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23402482 0.78 ALKBH3 (0.46) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23402335 0.78 ADORA2A (0.45) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23401526 0.77 GAA (0.49) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23400635 0.77 KDM4E (0.42) KDM4EALDH1A1MAPTCYP2D6CYP2C9
SCHEMBL23401226 0.77 HPGD (0.42) KDM4EALDH1A1MAPTCYP2D6CYP2C9

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