SCHEMBL8827768

SCHEMBL8827768

CCOC(=O)c1cc(=O)c2cccc(CC)c2o1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.55
MAOB P27338 2/20 0.54
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SLC2A1 P11166 1/20 0.47
GPR35 Q9HC97 4/20 0.47
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.46
TNKS O95271 1/20 0.45
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 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
SCHEMBL19744070 0.93 AKR1B1 (0.54) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL9637038 0.92 AKR1B1 (0.53) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8106216 0.91 MAOB (0.52) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8123310 0.91 AKR1B1 (0.62) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL10358927 0.88 MAPK1 (0.60) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8106509 0.88 AKR1B1 (0.56) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL22617428 0.86 MAOB (0.61) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL7633152 0.86 AKR1B1 (0.59) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL10358950 0.86 MAOB (0.49) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL4991500 0.85 AKR1B1 (0.54) AKR1B1MAOBTP53THRBSLC2A1

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-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed