SCHEMBL27586552

SCHEMBL27586552

COc1cc(C(C)C)c(C(=O)c2c(C)oc3ccccc23)c(C(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 0.64
CYP2C9 P11712 3/20 0.57
EYA3 Q99504 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KDM7A Q6ZMT4 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL6480569 0.82 CYP2C19 (0.61) CYP2C19CYP2C9EYA3L3MBTL1POLB
SCHEMBL8994709 0.79 CYP2C19 (1.00) CYP2C19CYP2C9EYA3L3MBTL1SMN1; SMN2
SCHEMBL6490125 0.78 EYA3 (0.69) CYP2C19CYP2C9EYA3POLBTHRA
SCHEMBL6482824 0.73 THRA (0.72) CYP2C19CYP2C9EYA3POLBTHRA
SCHEMBL1755970 0.72 ACSL1 (0.53) CYP2C19EYA3L3MBTL1THRATHRB
SCHEMBL28245008 0.72 CYP2C19 (0.79) CYP2C19CYP2C9EYA3L3MBTL1THRA
SCHEMBL18018241 0.70 CYP2C19 (0.61) CYP2C19CYP2C9EYA3L3MBTL1POLB
SCHEMBL9316490 0.70 CYP2C19 (0.73) CYP2C19CYP2C9EYA3L3MBTL1THRA
SCHEMBL30753455 0.70 CYP2C19 (0.54) CYP2C19CYP2C9EYA3L3MBTL1POLB
SCHEMBL28245012 0.69 CYP2C19 (0.79) CYP2C19CYP2C9EYA3L3MBTL1SMN1; SMN2

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
CN-1533274-A Benzofuranes and their use in treatment of artrial fibrillation �����ɷ� 2004-09-29 CN disclosed