SCHEMBL27896404

SCHEMBL27896404

CC(C)(C)OCC(NC(=O)Cc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.47
CNR2 P34972 9/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
CNR1 P21554 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL17600438 0.89 GRN (0.54) MEN1KMT2ACNR2CTSLCTSB
SCHEMBL17600437 0.89 GRN (0.54) MEN1KMT2ACNR2CTSLCTSB
SCHEMBL16908172 0.82 MEN1 (0.49) MEN1KMT2APTPN1CNR2CTSL
SCHEMBL9299480 0.82 CTSK (0.59) CTSLCTSBCTSSALDH1A1
SCHEMBL1576885 0.81 ITGA4 (0.43) CTSLCTSSPOLBL3MBTL1MAPT
SCHEMBL14647999 0.80 POLB (0.56) MEN1KMT2APTPN1CNR2CTSL
SCHEMBL3956755 0.78 PTPN1 (0.64) PTPN1CNR2CTSLCTSBCTSS
SCHEMBL5645893 0.78 PTPN1 (0.64) PTPN1CNR2CTSLCTSBCTSS
SCHEMBL6941568 0.77 PSMB8 (0.61) MEN1KMT2ACNR2CTSLCTSB
SCHEMBL25757122 0.77 POLB (0.66) MEN1KMT2APTPN1CNR2CTSL

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
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 CN claimed