SCHEMBL8574115

SCHEMBL8574115

COCc1nc2c(OC)ccc(CC(=O)O)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
HSD17B10 Q99714 1/20 0.43
AMY1A P0DUB6 1/20 0.39
STING1 Q86WV6 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35

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
SCHEMBL8571546 0.87 HSD17B10 (0.47) HSD17B10GAAKDM4EHPGDALDH1A1
SCHEMBL8571583 0.87 SMN1; SMN2 (0.43) HSD17B10STING1GAAALDH1A1CAMK2A
SCHEMBL8569965 0.87 RAB9A (0.48) HSD17B10STING1GAAKDM4EHPGD
SCHEMBL8574149 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL1553428 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL2524512 0.83 HSD17B10 (0.42) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL8574189 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL8575380 0.83 HSD17B10 (0.46) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL8572881 0.83 HSD17B10 (0.46) HSD17B10AMY1ASTING1GAAKDM4E
SCHEMBL8572885 0.82 HSD17B10 (0.47) PDE4APDE4BPDE4CPDE4DHSD17B10

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
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed