SCHEMBL14439383

SCHEMBL14439383

Cc1ccc(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 15/20 0.43
▸ CAPN1 P07384 1/20 0.41
▸ AIMP2 Q13155 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTSB P07858 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSH P09668 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL14439367 0.86 KDM4E (0.41) CTSSMEN1KMT2A
SCHEMBL14399315 0.86 CTSS (0.48) CTSSCAPN1CTSBCTSKCTSH
SCHEMBL13624749 0.86 CTSS (0.48) CTSSCAPN1CTSBCTSKCTSH
SCHEMBL15744682 0.81 MMP3 (0.40) CTSSCTSBCTSKCTSHCTSC
SCHEMBL26403817 0.81 MMP3 (0.42) —
SCHEMBL2623712 0.78 APLNR (0.40) CTSSCAPN1CTSBCTSKCTSH
SCHEMBL13624745 0.75 PSMB5 (0.38) CTSSCTSBCTSKCTSHCTSC
SCHEMBL15745544 0.75 CRHR1 (0.37) —
SCHEMBL15744687 0.73 APLNR (0.40) CTSSCAPN1
SCHEMBL26403878 0.73 GRPR (0.43) CAPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
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