SCHEMBL8949909

SCHEMBL8949909

CC(C)c1nc(C(C)C)c(/C=C/C=O)c(-c2ccccc2)c1/C=C/C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.42
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
TP53 P04637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8949683 0.85 GCGR (0.53) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8950007 0.83 GCGR (0.46) GCGRLMNAALDH1A1MEN1KMT2A
SCHEMBL9380517 0.79 RXRA (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949786 0.79 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9261550 0.75 ESR1 (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6963764 0.75 ESR1 (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482135 0.75 GCGR (0.44) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482140 0.75 GCGR (0.44) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9744058 0.74 GCGR (0.43) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8953098 0.74 HMGCR (0.58) NPC1MEN1POLBKMT2AHMGCR

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
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
EP-0325129-B1 Disubstituted pyridines BAYER AG (DE) 1994-09-07 EP 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
EP-0325129-A2 Disubstituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed