SCHEMBL13257547

SCHEMBL13257547

CCCCOC(=O)CCC[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.65
PDE4D Q08499 2/20 0.65
NR1I2 O75469 1/20 0.65
RXRA P19793 3/20 0.63
HMGCR P04035 3/20 0.63
PRKAA2 P54646 1/20 0.46
TOP2A P11388 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 3/20 0.35
SIRT6 Q8N6T7 2/20 0.35
ABCC3 O15438 1/20 0.35
ABCB11 O95342 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TBXA2R P21731 1/20 0.35
CCKAR P32238 1/20 0.35

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
SCHEMBL7533702 0.93 NR1I2 (0.68) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL10073658 0.91 NR4A2 (0.75) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL4911333 0.84 NR4A2 (0.71) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL4911326 0.84 NR4A2 (0.71) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL2898752 0.83 NR4A2 (0.80) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL14273684 0.83 NR4A2 (0.80) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL3529615 0.83 NR4A2 (0.80) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL14262755 0.83 NR4A2 (0.80) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL13776436 0.81 NR4A2 (0.75) NR4A2PDE4DNR1I2RXRAHMGCR
SCHEMBL13991559 0.81 NR4A2 (0.77) NR4A2PDE4DNR1I2RXRAHMGCR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010089770-A2 IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL]-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN LABORATORIES LIMITED (IN) 2010-08-12 WO disclosed