SCHEMBL8949911

SCHEMBL8949911

CC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1C(O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.53
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
APP P05067 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GCGR P47871 7/20 0.38
MAPK14 Q16539 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8878207 0.83 HMGCR (0.55) HMGCRADORA2AADORA1GCGR
SCHEMBL8879043 0.81 HMGCR (0.54) HMGCRADORA2AADORA1APPKDM4E
SCHEMBL8877873 0.80 HMGCR (0.62) HMGCRADORA2AADORA1APPGCGR
SCHEMBL8876720 0.80 HMGCR (0.59) HMGCRADORA2AADORA1APPGCGR
SCHEMBL8949830 0.78 GCGR (0.45) GCGR
SCHEMBL8877180 0.75 HMGCR (0.43) HMGCRADORA2AADORA1APPKDM4E
SCHEMBL9849239 0.75 HMGCR (0.48) HMGCRADORA2AADORA1APPKDM4E
SCHEMBL9849223 0.73 HMGCR (0.53) HMGCRADORA2AADORA1KDM4ELMNA
SCHEMBL8878478 0.73 HMGCR (0.47) HMGCRADORA2AADORA1APPKDM4E
SCHEMBL8878480 0.73 HMGCR (0.47) HMGCRADORA2AADORA1APPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502057-A Polysubstituted pyridines useful for treating lipoproteinanaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5470982-A Disubstituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-4968689-A Certain 2,6-diisopropyl-4-(4-fluoro-phenyl)-3,5-bis-dimethyl-3',5'-dihydroxy-hept-6-enoate-pyridine derivatives useful for treating lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
CN-1034716-A Disubstituted pyridines and preparation method thereof BAYER AG (DE) 1989-08-16 CN disclosed