SCHEMBL7752801

SCHEMBL7752801

CCC(=O)c1occc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 2/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HSP90AB1 P08238 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL867113 0.81 KMT2A (0.56) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL14205876 0.81 KMT2A (0.40) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL8002714 0.79 HSP90AB1 (0.41) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL6849922 0.79 MAPT (0.53) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL7076139 0.79 KMT2A (0.39) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL11386832 0.79 HSP90AB1 (0.41) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL28479419 0.79 TSHR (0.46) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL27861736 0.78 MAPT (0.39) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL6849820 0.78 CHRNB2 (0.41) KMT2AMAPTKDM4EALDH1A1THRB
SCHEMBL25798947 0.78 CHRNB2 (0.41) KMT2AMAPTKDM4EALDH1A1THRB

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
WO-2001053436-A1 MOTOR FUEL FOR SPARK IGNITION INTERNAL COMBUSTION ENGINES GOLUBKOV ANGELICA (SE) 2001-07-26 WO disclosed