SCHEMBL8949786

SCHEMBL8949786

Cc1nc(C(C)C)c(/C=C/C=O)c(-c2ccc(F)cc2)c1/C=C/C=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.47
ESR1 P03372 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39

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 0.93 GCGR (0.53) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949833 0.87 PTGS2 (0.38) GCGRHMGCR
SCHEMBL9744058 0.85 GCGR (0.43) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949673 0.85 GCGR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9380517 0.84 RXRA (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482135 0.82 GCGR (0.44) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482140 0.82 GCGR (0.44) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL10397208 0.80 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL10587512 0.80 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7791791 0.80 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R

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 4 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
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