SCHEMBL6506076

SCHEMBL6506076

COc1cccc(C=CC(=O)N2CCC(C(=O)NC(C)C(=O)O)CC2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFE2L2 Q16236 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 2/20 0.48
ITGAL P20701 3/20 0.46
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CAPN1 P07384 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
GAA P10253 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
SCHEMBL6506070 1.00 KMT2A (0.54) KMT2AKDM4ENPC1RAB9ANFE2L2
SCHEMBL6502814 0.91 NPC1 (0.46) KMT2AKDM4ENPC1RAB9AAPOBEC3A
SCHEMBL6502822 0.91 NPC1 (0.46) KMT2AKDM4ENPC1RAB9AAPOBEC3A
SCHEMBL6497407 0.88 KDM4E (0.46) KMT2AKDM4ENPC1RAB9AAPOBEC3A
SCHEMBL6497398 0.88 KDM4E (0.46) KMT2AKDM4ENPC1RAB9AAPOBEC3A
SCHEMBL6498445 0.87 ITGAL (0.51) KDM4ENPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL6498439 0.87 ITGAL (0.51) KDM4ENPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL6496819 0.85 KDM4E (0.48) KDM4ENPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL6496828 0.85 KDM4E (0.48) KDM4ENPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL6504728 0.83 ITGAL (0.54) KDM4ENPC1RAB9AAPOBEC3AAPOBEC3G

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