SCHEMBL7558276

SCHEMBL7558276

COCc1c(C(C)C)nc(C(C)C)c(/C=C/C(O)CC(=O)CC(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.77
ESR1 P03372 1/20 0.77
CHRM1 P11229 1/20 0.77
TBXA2R P21731 1/20 0.77
PDE4A P27815 1/20 0.77
ADRA1A P35348 1/20 0.77
GCGR P47871 5/20 0.53
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
PDE6D O43924 1/20 0.44
NR1I2 O75469 1/20 0.44
PDE4D Q08499 1/20 0.44
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL9152557 0.92 HMGCR (0.66) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9743387 0.91 HMGCR (0.64) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9743399 0.91 HMGCR (0.64) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9270541 0.89 HMGCR (0.62) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9270549 0.89 HMGCR (0.62) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9270484 0.88 HMGCR (0.61) HMGCRESR1CHRM1TBXA2RPDE4A
Cerivastatin SCHEMBL5508956 0.87 HMGCR (1.00) HMGCRESR1CHRM1TBXA2RPDE4A
Cerivastatin SCHEMBL10024041 0.87 HMGCR (1.00) HMGCRESR1CHRM1TBXA2RPDE4A
Cerivastatin SCHEMBL6241954 0.87 HMGCR (1.00) HMGCRESR1CHRM1TBXA2RPDE4A
Cerivastatin SCHEMBL6241950 0.87 HMGCR (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed
US-5744604-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
US-5677455-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0705837-A2 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1996-04-10 EP disclosed