SCHEMBL9348255

SCHEMBL9348255

CC(C)(C)c1cc(C2(C(N)=O)CCCCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
HPN P05981 1/20 0.36

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
SCHEMBL8849891 0.86 AKR1C1 (0.47) LMNACA2CA1ALDH1A1TDP1
SCHEMBL10703712 0.86 AKR1C1 (0.47) LMNACA2CA1ALDH1A1TDP1
SCHEMBL8579286 0.82 CA2 (0.41) LMNACA2CA1ALDH1A1TDP1
SCHEMBL10701913 0.78 ACHE (0.45) CA2CA1ALDH1A1TDP1GAA
SCHEMBL5573143 0.77 CA2 (0.45) CA2CA1ALDH1A1TDP1SMN1; SMN2
SCHEMBL297823 0.76 ACHE (0.58) LMNACA2CA1ALDH1A1TDP1
Bicarbonate SCHEMBL11054659 0.76 GLRA3 (0.43) LMNACA2CA1ALDH1A1TDP1
SCHEMBL5667067 0.75 LMNA (0.46) LMNA
SCHEMBL8850252 0.73 CNR1 (0.39) LMNACA2CA1ALDH1A1TDP1
Cyclohexane SCHEMBL5068614 0.71 CA2 (0.47) LMNACA2CA1ALDH1A1TDP1

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-0258598-B1 N-(substituted-1-piperazinealkyl)-alpha-(3,5-di-alkyl-4-hydroxyphenyl)-alpha,alpha-dialkyl acetamides GOODRICH CO B F (US) 1994-09-07 EP claimed