SCHEMBL8323393

SCHEMBL8323393

CSc1ccc(OCc2ccccc2)c(C=Cc2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.62
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.44
APP P05067 4/20 0.44
PTPN1 P18031 1/20 0.43
PTGER1 P34995 2/20 0.43
MAOB P27338 1/20 0.42
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
FOLH1 Q04609 1/20 0.41
MCL1 Q07820 1/20 0.41
KCNA3 P22001 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8323389 1.00 GCK (0.62) GCKKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL8323623 0.91 GCK (0.56) GCKKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL8323838 0.85 PTGER1 (0.57) KDM4EL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8323833 0.85 PTGER1 (0.57) KDM4EL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8322796 0.77 GCK (0.47) GCKL3MBTL1ALDH1A1PTGER1MAOB
SCHEMBL8324548 0.77 LMNA (0.54) KDM4EALDH1A1POLBLMNAAPP
SCHEMBL8321452 0.77 APP (0.58) KDM4EL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8321448 0.77 APP (0.58) KDM4EL3MBTL1ALDH1A1POLBLMNA
SCHEMBL8324551 0.77 LMNA (0.54) KDM4EALDH1A1POLBLMNAAPP
SCHEMBL8322341 0.77 PTGER4 (0.53) KDM4EALDH1A1POLBLMNAAPP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed