SCHEMBL6504860

SCHEMBL6504860

CC(NC(=O)C1CCN(C(=O)C=Cc2cc(C(F)(F)F)ccc2C(F)(F)F)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.46
CAPN1 P07384 3/20 0.42
ITGAL P20701 3/20 0.42
KCNH2 Q12809 3/20 0.41
KMT2A Q03164 2/20 0.41
TEAD1 P28347 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6497183 0.91 ITGAL (0.45) ENPP2CAPN1ITGALKMT2ANPC1
SCHEMBL6497179 0.91 ITGAL (0.45) ENPP2CAPN1ITGALKMT2ANPC1
SCHEMBL6497665 0.91 SMN1; SMN2 (0.48) ENPP2CAPN1ITGALKCNH2KMT2A
SCHEMBL6497667 0.91 SMN1; SMN2 (0.48) ENPP2CAPN1ITGALKCNH2KMT2A
SCHEMBL6495354 0.90 ENPP2 (0.46) ENPP2CAPN1ITGALKCNH2KMT2A
SCHEMBL6495356 0.90 ENPP2 (0.46) ENPP2CAPN1ITGALKCNH2KMT2A
SCHEMBL6497914 0.86 CAPN1 (0.44) ENPP2CAPN1ITGALKMT2ANPC1
SCHEMBL6497917 0.86 CAPN1 (0.44) ENPP2CAPN1ITGALKMT2ANPC1
SCHEMBL6502924 0.83 CAPN1 (0.44) CAPN1ITGALKMT2ANPC1RAB9A
SCHEMBL6502929 0.83 CAPN1 (0.44) CAPN1ITGALKMT2ANPC1RAB9A

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