SCHEMBL8949666

SCHEMBL8949666

COC(=O)CC(=O)CC(O)/C=C/c1c(C)nc(C)c(/C=C/C(O)CC(=O)CC(=O)OC)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.44
ESR1 P03372 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
NR1I2 O75469 1/20 0.42
NR4A2 P43354 1/20 0.42
PDE4D Q08499 1/20 0.42
RXRA P19793 1/20 0.41

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
SCHEMBL9261593 0.92 HMGCR (0.53) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL6949668 0.92 NR4A2 (0.45) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL8949894 0.87 HMGCR (0.58) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL27312221 0.86 HMGCR (0.44) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL10517235 0.86 HMGCR (0.40) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL10519811 0.82 HMGCR (0.39) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9272006 0.82 NR4A2 (0.47) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9272012 0.82 NR4A2 (0.47) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9743549 0.81 HMGCR (0.51) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL10398329 0.81 HMGCR (0.54) HMGCRESR1CHRM1TBXA2RPDE4A

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