SCHEMBL9710756

SCHEMBL9710756

COC(=O)C(C)Oc1cccc2c(Oc3c(F)cc(C#N)c(F)c3F)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
PLAU P00749 1/20 0.41
NR5A1 Q13285 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RORA P35398 2/20 0.36
NPC1 O15118 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IMPDH2 P12268 1/20 0.33
EZH2 Q15910 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL9710712 0.89 PTGDR2 (0.39) GAAALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9711023 0.88 CYP2D6 (0.33) NR5A1KDM4ERORANPC1NR3C1
SCHEMBL9854932 0.82 F9 (0.43) F9PLAUNR5A1KDM4ERORA
SCHEMBL9711028 0.79 F9 (0.42) F9PLAUGAASMN1; SMN2IMPDH2
SCHEMBL9710663 0.77 AR (0.37) GAASMN1; SMN2MAPTNPSR1IMPDH2
SCHEMBL9710630 0.72 AR (0.50) F9PLAUNR3C1ALDH1A1MAPT
SCHEMBL9811757 0.71 F9 (0.41) F9PLAUNR5A1KDM4ERORA
SCHEMBL8796518 0.71 SMN1; SMN2 (0.52) F9PLAUKDM4ENPC1GAA
SCHEMBL9313708 0.71 F9 (0.43) F9PLAUNPSR1
SCHEMBL9315737 0.71 KMT2A (0.39) GAAALDH1A1LMNASMN1; SMN2TP53

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-1992018467-A1 CYANOPHENOXYNAPHTHYL OXYCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed