SCHEMBL5467759

SCHEMBL5467759

COC(=O)N1CCc2cc(OC)c(OC)cc2C1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
MAPK1 P28482 1/20 0.63
THRB P10828 1/20 0.63
POLB P06746 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MDM2 Q00987 1/20 0.58
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.56
GPR183 P32249 1/20 0.56

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
SCHEMBL7006650 0.85 MAPK1 (0.65) KMT2AMEN1MAPK1THRBHRH3
SCHEMBL2873071 0.85 MAPK1 (0.65) KMT2AMEN1MAPK1THRBHRH3
SCHEMBL26928833 0.85 ESR2 (0.65) KMT2AMEN1MAPK1THRBHRH3
SCHEMBL1193532 0.84 MAPK1 (0.63) KMT2AMEN1MAPK1THRBPOLB
SCHEMBL14996180 0.81 KMT2A (0.67) KMT2AMEN1MAPK1POLBHRH3
SCHEMBL9781751 0.80 HRH3 (0.60) KMT2AMEN1MAPK1THRBHRH3
SCHEMBL21255890 0.80 KMT2A (0.66) KMT2AMEN1MAPK1POLBHRH3
SCHEMBL21255989 0.80 ESR1 (0.69) KMT2AMEN1MAPK1THRBHRH3
SCHEMBL22196923 0.80 KMT2A (0.66) KMT2AMEN1MAPK1POLBHRH3
SCHEMBL13580211 0.80 ABHD6 (0.62) KMT2APOLBNPC1GAAALDH1A1

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-20070032385-A1 Sustainable chemical processes MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-02-08 US disclosed