SCHEMBL9838822

SCHEMBL9838822

Nc1ccc(C(COC2CCCC2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.39
PDE4A P27815 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC6A3 Q01959 1/20 0.32
FFAR1 O14842 1/20 0.32
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31

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
SCHEMBL9839149 0.98 NFE2L2 (0.41) NFE2L2PDE4AESR1ESR2SLC6A3
SCHEMBL9838977 0.76 KDM4E (0.38) NFE2L2
SCHEMBL10379784 0.75 NPSR1 (0.39) NFE2L2PDE4ASLC6A3PRMT5WDR77
SCHEMBL9837578 0.75 NFE2L2 (0.47) NFE2L2ESR1ESR2SLC6A3
SCHEMBL9838929 0.75 KDM4E (0.40) NFE2L2
SCHEMBL9837901 0.74 NFE2L2 (0.50) NFE2L2ESR1ESR2
SCHEMBL10488102 0.71 NFE2L2 (0.39) NFE2L2ESR1ESR2
SCHEMBL16564175 0.71 SLC6A4 (0.39) SLC6A3
SCHEMBL9837596 0.68 NFE2L2 (0.36) NFE2L2PDE4A
SCHEMBL9837529 0.68 CYP19A1 (0.42) SLC6A3FFAR1

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
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP claimed