SCHEMBL9865766

SCHEMBL9865766

N=C(NC(=O)OCc1ccccc1)c1ccc(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 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
TACR1 P25103 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
SIRT5 Q9NXA8 3/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
KDM1A O60341 9/20 0.45
MAOA P21397 7/20 0.45
RCOR1 Q9UKL0 3/20 0.45
KDM1B Q8NB78 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAOB P27338 2/20 0.44

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
SCHEMBL9335609 1.00 SIRT2 (0.49) SIRT2TACR1HDAC8SIRT5ITGB3
SCHEMBL9867447 0.89 SIRT2 (0.53) SIRT2TACR1HDAC8SIRT5ITGB3
SCHEMBL9337415 0.89 SIRT2 (0.53) SIRT2TACR1HDAC8SIRT5ITGB3
SCHEMBL9864590 0.87 PAX8 (0.52) KDM1AMAOARCOR1KDM1B
SCHEMBL9335795 0.87 CTSL (0.51) SIRT2TACR1HDAC8SIRT5ITGB3
SCHEMBL9865730 0.87 CTSL (0.51) SIRT2TACR1HDAC8SIRT5ITGB3
SCHEMBL9335800 0.86 KMT2A (0.46) KDM1AMAOARCOR1KDM1B
SCHEMBL9865717 0.84 KDM1A (0.48) KDM1AMAOARCOR1KDM1B
SCHEMBL8441106 0.82 CTSL (0.52) TACR1HDAC8CTSLCTSBCTSS
SCHEMBL8830407 0.82 CTSL (0.52) TACR1HDAC8CTSLCTSBCTSS

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