SCHEMBL9839149

SCHEMBL9839149

Nc1ccc(C(COC2CCCCC2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
PDE4A P27815 1/20 0.34
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDK2 Q15119 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL9838822 0.98 NFE2L2 (0.39) NFE2L2PDE4APRMT5WDR77ESR1
SCHEMBL10379784 0.77 NPSR1 (0.39) NFE2L2PDE4APRMT5WDR77MAPT
SCHEMBL9838929 0.77 KDM4E (0.40) NFE2L2KDM4ELMNASMN1; SMN2
SCHEMBL9837901 0.76 NFE2L2 (0.50) NFE2L2ESR1ESR2
SCHEMBL9838977 0.75 KDM4E (0.38) NFE2L2KDM4ELMNA
SCHEMBL9837578 0.74 NFE2L2 (0.47) NFE2L2ESR1ESR2SLC6A3
SCHEMBL10488102 0.70 NFE2L2 (0.39) NFE2L2ESR1ESR2
SCHEMBL16564175 0.70 SLC6A4 (0.39) SLC6A3KDM4EALDH1A1
SCHEMBL9837883 0.69 NFE2L2 (0.39) NFE2L2PDE4AMAPTALDH1A1
SCHEMBL9837852 0.69 CYP19A1 (0.44) NFE2L2NPSR1SLC6A3HTTSMN1; SMN2

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