SCHEMBL6507923

SCHEMBL6507923

CC(NC(=O)C1CCN(C(=O)C=Cc2c(C(F)(F)F)ccc(Cl)c2F)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.43
KMT2A Q03164 3/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RBP4 P02753 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
ITGAL P20701 2/20 0.36
NOTUM Q6P988 1/20 0.36
HSD11B1 P28845 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36

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
SCHEMBL6507919 1.00 CAPN1 (0.43) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6497914 0.84 CAPN1 (0.44) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6497917 0.84 CAPN1 (0.44) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6497836 0.83 CAPN1 (0.46) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6497842 0.83 CAPN1 (0.46) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6508852 0.83 ITGAL (0.45) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6508850 0.83 ITGAL (0.45) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6499282 0.82 CAPN1 (0.50) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6499283 0.82 CAPN1 (0.50) CAPN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6497179 0.82 ITGAL (0.45) CAPN1KMT2ARAB9ANPC1SMN1; 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 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 claimed