SCHEMBL6500054

SCHEMBL6500054

CC(NC(=O)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.50
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CCR2 P41597 8/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6500056 1.00 CAPN1 (0.50) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6499227 0.87 CAPN1 (0.50) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6499222 0.87 CAPN1 (0.50) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6497928 0.84 CAPN1 (0.48) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6499376 0.84 CAPN1 (0.48) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6497923 0.84 CAPN1 (0.48) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6499373 0.84 CAPN1 (0.48) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6495756 0.82 CAPN1 (0.47) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6495765 0.82 CAPN1 (0.47) CAPN1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL12606909 0.81 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2CCR2KMT2A

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