SCHEMBL11079968

SCHEMBL11079968

CCOC(=O)Cc1c(CCNC(=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CYP2C9 P11712 1/20 0.47
MCL1 Q07820 2/20 0.46
ALOX15 P16050 2/20 0.46

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
SCHEMBL11089266 0.88 KDM4E (0.49) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL11081577 0.85 KDM4E (0.54) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL11077652 0.83 KDM4E (0.40) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL10965115 0.83 MEN1 (0.52) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL11081918 0.82 CA1 (0.48) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL11084373 0.80 HTR6 (0.62) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL11866647 0.78 HTR6 (0.63) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL11089246 0.78 KDM4E (0.50) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL19193162 0.78 KDM4E (0.60) KDM4ELMNAALDH1A1GAAMEN1
SCHEMBL7863760 0.78 MAPT (0.72) KDM4ELMNAALDH1A1GAAMEN1

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
US-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed