SCHEMBL11079965

SCHEMBL11079965

CCOC(=O)Cc1c(C(C)NC(=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
LMNA P02545 1/20 0.53
KLK6 Q92876 2/20 0.47
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
ALOX5 P09917 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
EGFR P00533 2/20 0.43
IMPDH2 P12268 2/20 0.43
MAPT P10636 5/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTR6 P50406 1/20 0.41
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11089264 0.88 KMT2A (0.44) KDM4ELMNAKLK6ALDH1A1GAA
SCHEMBL11081572 0.85 KDM4E (0.54) KDM4ELMNAKLK6ALDH1A1GAA
SCHEMBL10965110 0.84 IMPDH2 (0.46) KDM4EALDH1A1GAAEGFRIMPDH2
SCHEMBL11077649 0.83 KDM4E (0.40) KDM4ELMNAALDH1A1GAAHSD17B10
SCHEMBL11081905 0.82 KDM4E (0.48) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL11084371 0.80 KDM4E (0.57) KDM4ELMNAKLK6ALDH1A1GAA
SCHEMBL11090984 0.78 PTGS2 (0.52) KDM4EALDH1A1GAAPKMHPGD
SCHEMBL11079968 0.76 KDM4E (0.53) KDM4ELMNAALDH1A1GAAPKM
SCHEMBL4259037 0.76 KDM4E (0.57) KDM4ELMNAALDH1A1GAAPKM
SCHEMBL9536890 0.75 LMNA (0.62) KDM4ELMNAALDH1A1GAAPKM

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