SCHEMBL7766101

SCHEMBL7766101

CCCCOC(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.59
FOLH1 Q04609 1/20 0.54
PPARG P37231 1/20 0.54
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
MME P08473 1/20 0.51
CTSK P43235 3/20 0.50
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48

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
SCHEMBL1447017 1.00 PPARA (0.59) PPARAFOLH1PPARGCTSLCTSS
SCHEMBL15156902 0.91 SIRT2 (0.54) PPARAFOLH1CTSLCTSSMME
SCHEMBL12879969 0.90 CTSL (0.57) PPARACTSLCTSSCTSKSIRT2
SCHEMBL16582478 0.90 CTSL (0.57) PPARACTSLCTSSCTSKSIRT2
SCHEMBL7766108 0.89 CTSL (0.50) PPARACTSLCTSSCTSKSIRT2
SCHEMBL7766094 0.89 CTSL (0.50) PPARACTSLCTSSCTSKSIRT2
SCHEMBL5350193 0.87 TAOK1 (0.58) CTSLCTSSTAOK1TAOK3SIRT2
SCHEMBL8457371 0.86 SIRT2 (0.53) PPARAFOLH1CTSLCTSSMME
SCHEMBL6663760 0.86 PPARA (0.44) PPARAFOLH1PPARGCTSLCTSS
SCHEMBL1024175 0.85 PPARA (0.64) PPARAFOLH1PPARGCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100814-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2001-05-23 EP disclosed
WO-2000005245-A2 INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2000-02-03 WO disclosed
US-3971737-A [2-Methyl-Ala6 ]LRH AMERICAN HOME PRODUCTS CORPORATION (US) 1976-07-27 US disclosed