SCHEMBL2648334

SCHEMBL2648334

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.45
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
PTGER2 P43116 3/20 0.44
PPIA P62937 2/20 0.44
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
TDP2 O95551 1/20 0.42

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
SCHEMBL2650419 0.91 PPIA (0.41) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL2650233 0.89 PPIA (0.40) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL2650231 0.89 PPIA (0.40) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL2648920 0.82 LMNA (0.54) MCL1ALDH1A1MAPTLMNANPC1
SCHEMBL2647828 0.79 MAPT (0.46) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL8949567 0.78 MAPT (0.69) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL2662914 0.77 GCGR (0.48) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL2648375 0.76 MAPT (0.43) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL9265076 0.75 GCGR (0.56) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL6984908 0.75 RAB9A (0.57) PTGER1PPIAALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239474-A Substituted pyridines and biphenyls as antihypercholesterolemic, antihyperlipidemic and antihyperglycemic agents BAYER AG (US) 1999-12-22 CN disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed