SCHEMBL9735593

SCHEMBL9735593

COC(=O)CC(O)CC(O)/C=C/c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)c(=O)[nH]c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.54
ESR1 P03372 1/20 0.54
CHRM1 P11229 1/20 0.54
TBXA2R P21731 1/20 0.54
PDE4A P27815 1/20 0.54
ADRA1A P35348 1/20 0.54
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE6D O43924 1/20 0.43
NR1I2 O75469 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL9772121 0.91 HMGCR (0.60) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9772118 0.91 HMGCR (0.60) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9735621 0.91 HMGCR (0.53) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9772067 0.90 HMGCR (0.50) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9735282 0.86 HMGCR (0.57) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL10362835 0.83 HMGCR (0.70) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9771998 0.82 HMGCR (0.59) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9772001 0.82 HMGCR (0.59) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9771983 0.80 HMGCR (0.56) HMGCRESR1CHRM1TBXA2RPDE4A
SCHEMBL9771984 0.80 HMGCR (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075311-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1991-12-24 US claimed
US-5145959-A Enzyme inhibitors; antilipemic agents; treatment of atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
US-5075311-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed