SCHEMBL8949790

SCHEMBL8949790

Cc1nc(C(C)C)cc(-c2ccc(F)cc2)c1C(O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 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
SCHEMBL8949830 0.85 GCGR (0.45) GCGR
SCHEMBL8949704 0.84 NPC1 (0.43) GCGRKDM4EMEN1NPC1MAPT
SCHEMBL9744007 0.81 SCN9A (0.35) GCGR
SCHEMBL28320987 0.75 GCGR (0.51) GCGR
SCHEMBL2663566 0.72 GCGR (0.58) GCGR
SCHEMBL8880943 0.70 GCGR (0.45) GCGRDHODH
SCHEMBL8201704 0.69 ADORA2A (0.43) GCGRKDM4EMEN1NPC1MAPT
SCHEMBL8949766 0.69 GCGR (0.40) GCGRKDM4EMAPT
SCHEMBL10511491 0.69 NPC1 (0.43) GCGRKDM4EMEN1NPC1MAPT
SCHEMBL27506734 0.68 GCGR (0.41) GCGR

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