SCHEMBL9867447

SCHEMBL9867447

NC(=S)c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Nc2cccc(C(=O)NCCC(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.53
SIRT5 Q9NXA8 2/20 0.51
TACR1 P25103 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
SIRT1 Q96EB6 7/20 0.47
SIRT3 Q9NTG7 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47

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
SCHEMBL9337415 1.00 SIRT2 (0.53) SIRT2SIRT5TACR1HDAC8F2
SCHEMBL9865766 0.89 SIRT2 (0.49) SIRT2SIRT5TACR1HDAC8ITGB3
SCHEMBL9335609 0.89 SIRT2 (0.49) SIRT2SIRT5TACR1HDAC8ITGB3
SCHEMBL9335795 0.87 CTSL (0.51) SIRT2SIRT5TACR1HDAC8ITGB3
SCHEMBL9865730 0.87 CTSL (0.51) SIRT2SIRT5TACR1HDAC8ITGB3
SCHEMBL9335637 0.83 KMT2A (0.48) SIRT2HDAC8SIRT1SIRT3
SCHEMBL8443041 0.82 CTSL (0.52) TACR1
SCHEMBL9335708 0.82 NR1H4 (0.49) KDM1AMAOAKDM1BRCOR1
SCHEMBL9865584 0.77 NAMPT (0.60) KDM1AMAOAKDM1BRCOR1
SCHEMBL9339382 0.76 SIRT2 (0.57) SIRT2SIRT5HDAC8SIRT1SIRT3

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