SCHEMBL7765840

SCHEMBL7765840

NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
TSHR P16473 1/20 0.54
CTSK P43235 3/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TPSAB1 Q15661 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CTSL P07711 2/20 0.53
CTSS P25774 1/20 0.53
TLR2 O60603 2/20 0.52
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT3 Q9NTG7 2/20 0.52
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
ACE P12821 1/20 0.51
ITGB3 P05106 2/20 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
SCHEMBL26477889 0.92 HDAC1 (0.64) HDAC1HDAC2CTSKALDH1A1TLR2
SCHEMBL24188458 0.83 ECE1 (0.62) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL7317571 0.83 CTSL (0.60) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL1841203 0.83 PRSS1 (0.61) HDAC1HDAC2CTSKPRSS1PRSS2
SCHEMBL2367228 0.83 ITGB3 (0.64) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL210602 0.83 ITGB3 (0.64) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL10723335 0.83 PRSS1 (0.61) HDAC1HDAC2CTSKPRSS1PRSS2
SCHEMBL1841202 0.83 PRSS1 (0.61) HDAC1HDAC2CTSKPRSS1PRSS2
SCHEMBL210601 0.83 ITGB3 (0.64) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL7530387 0.82 PRSS1 (0.60) CTSKPRSS1PRSS2PRSS3TPSAB1

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
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed