SCHEMBL8949673

SCHEMBL8949673

Cc1nc(C(C)C)c(C=O)c(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.50
ALDH1A1 P00352 1/20 0.39
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
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 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
SCHEMBL8949603 0.91 GCGR (0.58) GCGRMAPK10MAPK14
SCHEMBL6955874 0.89 GCGR (0.61) GCGR
SCHEMBL8949995 0.86 ALDH1A1 (0.46) GCGRALDH1A1
SCHEMBL8949786 0.85 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL14097269 0.84 GCGR (0.49) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9872802 0.84 GCGR (0.45) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6953305 0.84 GCGR (0.44) GCGRALDH1A1
SCHEMBL9744972 0.82 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949683 0.79 GCGR (0.53) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL10423715 0.79 GCGR (0.43) GCGRALDH1A1MAPK10MAPK14

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