SCHEMBL11068161

SCHEMBL11068161

CCOC(=O)C(C)Oc1ccc(-c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP19A1 P11511 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PSMB5 P28074 2/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
MKNK1 Q9BUB5 5/20 0.48
MKNK2 Q9HBH9 5/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1974134 0.85 GRM2 (0.53) MAPTLMNAL3MBTL1KMT2AGRM2
SCHEMBL9063261 0.84 LMNA (0.63) MAPTLMNAL3MBTL1CYP2C9CYP2C19
SCHEMBL9857703 0.84 LMNA (0.63) MAPTLMNAL3MBTL1CYP2C9CYP2C19
SCHEMBL11065098 0.82 LMNA (0.56) LMNAL3MBTL1KMT2AGRM2HTT
SCHEMBL18562432 0.76 L3MBTL1 (0.59) MAPTLMNAL3MBTL1CYP2C9CYP2C19
SCHEMBL5735824 0.76 MKNK1 (0.59) MAPTL3MBTL1CYP2C9CYP2C19CYP19A1
SCHEMBL15447704 0.75 MAPT (0.52) MAPTLMNAL3MBTL1CYP2C9CYP2C19
SCHEMBL19479573 0.75 MAPT (0.52) MAPTLMNAL3MBTL1CYP2C9CYP2C19
SCHEMBL17901029 0.75 LMNA (0.72) MAPTLMNAL3MBTL1CYP2C9CYP2C19
SCHEMBL2805987 0.75 LMNA (0.72) MAPTLMNAL3MBTL1CYP2C9CYP2C19

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
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed