SCHEMBL21722682

SCHEMBL21722682

COc1c(O)cc(C(=O)O)c(C)c1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
MCL1 Q07820 2/20 0.47
MAOB P27338 1/20 0.47
PTGER1 P34995 1/20 0.46
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
PTPN1 P18031 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
APP P05067 1/20 0.43
FOLH1 Q04609 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
SCHEMBL18394152 0.93 LMNA (0.57) LMNAHPGDMCL1MAOBPTGER1
SCHEMBL30666060 0.93 LMNA (0.57) LMNAHPGDMCL1MAOBPTGER1
SCHEMBL6859323 0.82 LMNA (0.54) LMNAHPGDMCL1MAOBMAPT
SCHEMBL6761438 0.82 PTGER1 (0.56) LMNAHPGDMCL1PTGER1MAPT
SCHEMBL670626 0.81 TPMT (0.49) MAPTTDP1
SCHEMBL7711160 0.79 LMNA (0.56) LMNAHPGDMAOBMAPTCYP2C19
SCHEMBL15726040 0.78 PTGER1 (0.57) LMNAHPGDMCL1MAOBPTGER1
SCHEMBL5467535 0.78 PTGER1 (0.58) HPGDMCL1PTGER1MAPTCYP2C9
SCHEMBL10604980 0.77 LMNA (0.67) LMNAHPGDMAOBMAPTCYP2C9
SCHEMBL12379065 0.77 PTGER1 (0.53) LMNAHPGDMCL1MAOBPTGER1

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-2020035058-A1 PHARMACEUTICAL COMPOUNDS FOR TREATING LIVER DISEASES AND APPLICATION THEREOF 江苏新元素医药科技有限公司 2020-02-20 WO disclosed