SCHEMBL28100583

SCHEMBL28100583

COC(=O)c1nc2ccc(OC)cc2c(C(=O)OC)c1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.54
DHODH Q02127 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 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
SCHEMBL28100431 0.85 DHODH (0.47) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL28100432 0.78 POLB (0.50) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL7534288 0.77 PLA2G2A (0.61) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL30744943 0.76 L3MBTL1 (0.41) PLA2G2ADHODHKDM4EHPGDHSD17B10
SCHEMBL641481 0.75 KDM4E (0.62) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL8574173 0.74 PLA2G2A (0.46) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL7663206 0.74 PLA2G2A (0.58) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL16400838 0.73 PLA2G2A (0.60) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL7793772 0.73 DHODH (0.45) PLA2G2ADHODHKDM4EHPGDALDH1A1
SCHEMBL2012625 0.72 PLA2G2A (0.50) PLA2G2ADHODHKDM4EHPGDALDH1A1

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-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed