SCHEMBL6502929

SCHEMBL6502929

CC(NC(=O)C1CCN(C(=O)C=Cc2cccc(C(F)(F)F)c2F)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.44
ITGAL P20701 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RBP4 P02753 2/20 0.40
NOTUM Q6P988 1/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
C3AR1 Q16581 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR183 P32249 1/20 0.39
POLB P06746 2/20 0.39
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL6502924 1.00 CAPN1 (0.44) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6497917 0.91 CAPN1 (0.44) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6497914 0.91 CAPN1 (0.44) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6508850 0.90 ITGAL (0.45) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6508852 0.90 ITGAL (0.45) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6495682 0.88 CAPN1 (0.47) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6495687 0.88 CAPN1 (0.47) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6497183 0.86 ITGAL (0.45) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6497179 0.86 ITGAL (0.45) CAPN1ITGALNPC1RAB9ASMN1; SMN2
SCHEMBL6504616 0.83 CAPN1 (0.46) CAPN1ITGALNPC1RAB9ASMN1; SMN2

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