SCHEMBL13310355

SCHEMBL13310355

COc1cc2c(cc1C)CCN(C(C)=O)C2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
HRH3 Q9Y5N1 1/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
NPC1 O15118 1/20 0.52
THRB P10828 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MDM2 Q00987 1/20 0.51
HPGD P15428 1/20 0.50
NOTUM Q6P988 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.50

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 0.91 MAPK1 (0.65) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL9669207 0.85 MAPK1 (0.56) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL3504393 0.85 MAPK1 (0.56) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL17197259 0.84 MAPK1 (0.54) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL31316090 0.84 MAPK1 (0.54) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL17197305 0.84 MAPK1 (0.54) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL21610968 0.83 ESR1 (0.63) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL19002254 0.82 MAPK1 (0.57) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL21661732 0.82 ESR1 (0.52) MAPK1KMT2AMEN1HRH3MAPT
SCHEMBL19068970 0.82 ESR2 (0.60) MAPK1KMT2AMEN1HRH3MAPT

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-7727976-B2 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. (US) 2010-06-01 US disclosed