SCHEMBL11269728

SCHEMBL11269728

CCN(CC)Cc1ccc(O)c(CN(CC)CC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
THRB P10828 1/20 0.67
APEX1 P27695 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
RECQL P46063 1/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
KMT2A Q03164 1/20 0.67
MCL1 Q07820 1/20 0.67
HKDC1 Q2TB90 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PRKCI P41743 1/20 0.67
ACHE P22303 1/20 0.65
JAK2 O60674 1/20 0.61

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
SCHEMBL2482909 0.83 IDH1 (0.56) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL27863267 0.83 PRKCI (0.56) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL17481522 0.82 ESR1 (0.59) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL11131965 0.82 POLB (0.69) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL917999 0.80 CDK1 (0.56) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL29565648 0.80 PRKCI (1.00) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL6266901 0.80 POLB (0.67) POLBKDM4EMEN1ALDH1A1MAPT
Bromide SCHEMBL11132004 0.80 POLB (0.67) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL111109 0.80 PRKCI (1.00) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL5805285 0.79 HTT (0.59) POLBKDM4EMEN1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US claimed
US-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US disclosed