SCHEMBL11077652

SCHEMBL11077652

CCOC(=O)Cc1c(CCNC(=O)c2ccccc2)[nH]c2ccc(C)c(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CHRM5 P08912 2/20 0.38
POLB P06746 2/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 2/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11079968 0.83 KDM4E (0.53) KDM4EALDH1A1GAALMNANPC1
SCHEMBL11089266 0.80 KDM4E (0.49) KDM4EALDH1A1GAALMNANPC1
SCHEMBL11077649 0.78 KDM4E (0.40) KDM4EALDH1A1GAALMNANPC1
SCHEMBL11090986 0.71 MTNR1A (0.52) ALDH1A1MAPTPOLBTSHRKMT2A
SCHEMBL11081577 0.70 KDM4E (0.54) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL11080603 0.70 SNCA (0.43) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL27439930 0.69 PRSS1 (0.71) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL11081918 0.68 CA1 (0.48) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL5009820 0.67 MAPT (0.62) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL10965115 0.66 MEN1 (0.52) KDM4EALDH1A1NPC1RAB9AMAPT

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