SCHEMBL8007347

SCHEMBL8007347

COc1ccc(-c2ccc(CO)c(C)c2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
EPHX2 P34913 7/20 0.43
AKR1C4 P17516 2/20 0.43
AKR1C1 Q04828 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
AKR1B10 O60218 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CRHR1 P34998 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRD5A2 P31213 1/20 0.38
PPARD Q03181 1/20 0.38
LIMK1 P53667 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4050630 0.87 PDCD1 (0.52) AKR1C3AKR1C2EPHX2AKR1C4AKR1C1
SCHEMBL7946481 0.83 CYP11B1 (0.48) CYP11B1CYP11B2PDCD1CD274MEN1
SCHEMBL1992428 0.81 EPHX2 (0.58) EPHX2
SCHEMBL7941906 0.81 SCN9A (0.42) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B10
SCHEMBL7941955 0.81 AKR1C3 (0.45) AKR1C3AKR1C2EPHX2AKR1C4AKR1C1
SCHEMBL7946478 0.81 CYP1A1 (0.55) CYP11B1CYP11B2PDCD1CD274SMN1; SMN2
SCHEMBL15719330 0.80 FFAR1 (0.48) CYP11B1CYP11B2PDCD1CD274
SCHEMBL7944717 0.80 CYP11B1 (0.45) CYP11B1CYP11B2PDCD1CD274MEN1
SCHEMBL14525154 0.78 AR (0.41) AKR1C3AKR1C2AKR1C4AKR1C1CYP11B2
SCHEMBL8021656 0.77 S1PR1 (0.50) PDCD1CD274

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-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed