SCHEMBL6497240

SCHEMBL6497240

COC(=O)CC(CNC(=O)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
TACR1 P25103 1/20 0.51
CTRB1 P17538 3/20 0.50
CASP1 P29466 1/20 0.49
CTSK P43235 2/20 0.48
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
KYNU Q16719 1/20 0.46
CTSG P08311 1/20 0.45
ELANE P08246 2/20 0.45
PRTN3 P24158 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSB P07858 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL8296973 1.00 SYK (0.54) SYKTACR1CTRB1CASP1CTSK
SCHEMBL6497581 0.92 ALDH1A1 (0.52) SYKCTRB1CTSKMAPTRAB9A
SCHEMBL8298823 0.92 ALDH1A1 (0.52) SYKCTRB1CTSKMAPTRAB9A
SCHEMBL6495244 0.90 NPC1 (0.49) SYKCTSKRAB9AKMT2ASMN1; SMN2
SCHEMBL8297484 0.90 NPC1 (0.49) SYKCTSKRAB9AKMT2ASMN1; SMN2
SCHEMBL10966776 0.86 CTRB1 (0.61) SYKCTRB1CASP1CTSKKYNU
SCHEMBL6500389 0.85 HPGD (0.53) SYKCTRB1CTSKALDH1A1
SCHEMBL8296983 0.85 HPGD (0.53) SYKCTRB1CTSKALDH1A1
SCHEMBL13955194 0.85 SYK (0.53) SYKCTRB1CASP1CTSKITGB3
SCHEMBL30946052 0.84 SYK (0.77) SYKCTRB1CTSKMAPTCTSL

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed