SCHEMBL9710776

SCHEMBL9710776

CCOC(=O)[C@@H](C)Oc1cccc2c(Oc3ccc(C#N)cc3F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 13/20 0.44
KDM4E B2RXH2 8/20 0.44
RORA P35398 5/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL9711028 0.89 F9 (0.42)
SCHEMBL28125090 0.83 GAA (0.49) KDM4EKMT2ALMNA
SCHEMBL28125089 0.83 GAA (0.49) KDM4EKMT2ALMNA
SCHEMBL2989414 0.77 SLC6A4 (0.38)
SCHEMBL10480779 0.77 PTGDR2 (0.50) ALDH1A1TSHRKMT2A
SCHEMBL9710630 0.77 AR (0.50) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9563083 0.75 SMN1; SMN2 (0.50) NR5A1KDM4ERORANPC1ALDH1A1
SCHEMBL9710658 0.75 AR (0.42) KDM4ENPSR1HSD17B10MAPTMEN1
Cyhalofop-Butyl SCHEMBL56020 0.74 GAA (0.47)
Cyhalofop-Butyl SCHEMBL29395915 0.74 GAA (0.47)

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