SCHEMBL9865730

SCHEMBL9865730

N#Cc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Nc2cccc(C(=O)NCCC(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 1/20 0.51
HDAC8 Q9BY41 3/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
TACR1 P25103 2/20 0.49
SIRT5 Q9NXA8 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
KDM1A O60341 5/20 0.45
MAOA P21397 3/20 0.45
RCOR1 Q9UKL0 3/20 0.45
KDM1B Q8NB78 1/20 0.45

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
SCHEMBL9335795 1.00 CTSL (0.51) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL9867447 0.87 SIRT2 (0.53) HDAC8SIRT2TACR1SIRT5ITGB3
SCHEMBL9337415 0.87 SIRT2 (0.53) HDAC8SIRT2TACR1SIRT5ITGB3
SCHEMBL9335609 0.87 SIRT2 (0.49) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL9865766 0.87 SIRT2 (0.49) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL9866336 0.83 LMNA (0.54)
SCHEMBL4163972 0.81 TACR1 (0.64) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL8443308 0.81 CTSS (0.60) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL8830310 0.81 CTSS (0.60) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL9864867 0.81 NR1H4 (0.51) KDM1AMAOARCOR1KDM1B

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed