SCHEMBL9272012

SCHEMBL9272012

Cc1nc(C)c(-c2ccccc2)c(-c2ccc(F)cc2)c1C=CC(O)CC(=O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
PDE4D Q08499 2/20 0.47
NR1I2 O75469 1/20 0.47
HMGCR P04035 6/20 0.44
RXRA P19793 2/20 0.43
TBXA2R P21731 2/20 0.42
ADRA1A P35348 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
CYP2C9 P11712 3/20 0.41
SIRT6 Q8N6T7 2/20 0.41
ABCC3 O15438 1/20 0.41
ABCB11 O95342 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CCKAR P32238 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC10A1 Q14973 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
SCHEMBL9272006 1.00 NR4A2 (0.47) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL6949668 0.91 NR4A2 (0.45) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL8953313 0.85 HMGCR (0.49) HMGCR
SCHEMBL8953297 0.85 HMGCR (0.49) HMGCR
SCHEMBL10474682 0.84 HMGCR (0.42) NR4A2PDE4DNR1I2HMGCRTBXA2R
SCHEMBL27308983 0.82 HMGCR (0.52) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL8949666 0.82 HMGCR (0.44) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL10410206 0.81 HMGCR (0.44) PDE4DNR1I2HMGCRTBXA2RADRA1A
SCHEMBL9264631 0.81 HMGCR (0.46) NR4A2PDE4DNR1I2HMGCRTBXA2R
SCHEMBL10410205 0.81 HMGCR (0.44) PDE4DNR1I2HMGCRTBXA2RADRA1A

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-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed