SCHEMBL11266199

SCHEMBL11266199

CCN(CC)Cc1cccc(CN(CC)CC)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
THRB P10828 1/20 0.56
APEX1 P27695 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
MCL1 Q07820 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PRKCI P41743 1/20 0.52

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
SCHEMBL13675363 0.86 POLB (0.60) GABRA1GABRB2MAPTPOLBKDM4E
SCHEMBL11278959 0.83 GABRA1 (0.52) GABRA1GABRB2MAPTALDH1A1TSHR
SCHEMBL20175927 0.82 MAPT (0.56) GABRA1GABRB2MAPTPOLBKDM4E
SCHEMBL3621894 0.82 ADORA2A (0.50) GABRA1GABRB2MAPTPOLBKDM4E
SCHEMBL7768256 0.80 TSHR (0.57) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL31153347 0.80 TSHR (0.57) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL31038835 0.80 PRKCI (0.60) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL1822448 0.80 PRKCI (0.60) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL9628505 0.79 KDM4E (0.53) GABRA1GABRB2MAPTPOLBKDM4E
SCHEMBL11278702 0.79 GABRA1 (0.48) GABRA1GABRB2MAPTMEN1KMT2A

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 disclosed
US-4215229-A AMNNICH REACTION, HYDROGENOLYSIS KOPPERS COMPANY, INC. (US) 1980-07-29 US disclosed