SCHEMBL7975561

SCHEMBL7975561

CCOC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
CTSK P43235 5/20 0.53
CTSL P07711 4/20 0.53
CTSS P25774 3/20 0.52
CTSB P07858 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
KYNU Q16719 1/20 0.50

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
SCHEMBL7583002 0.92 CASP1 (0.60) CASP1CTSKCTSLCTSSCTSB
SCHEMBL2912586 0.92 CASP1 (0.60) CASP1CTSKCTSLCTSSCTSB
SCHEMBL2912589 0.92 CASP1 (0.60) CASP1CTSKCTSLCTSSCTSB
SCHEMBL6160471 0.90 CASP1 (0.53) CASP1SIRT2SIRT1CTSKCTSL
SCHEMBL21057596 0.90 CASP1 (0.59) CASP1SIRT2SIRT1CTSK
SCHEMBL3012469 0.89 CASP1 (0.56) CASP1CTSKCTSLCTSSCTSB
SCHEMBL3012475 0.89 CASP1 (0.56) CASP1CTSKCTSLCTSSCTSB
SCHEMBL8116799 0.89 CASP1 (0.56) CASP1CTSKCTSLCTSSCTSB
SCHEMBL12062829 0.87 CTSL (0.56) CASP1SIRT2SIRT1CTSKCTSL
SCHEMBL4726420 0.87 CTSL (0.56) CASP1SIRT2SIRT1CTSKCTSL

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed