SCHEMBL6503994

SCHEMBL6503994

CC(NC(=O)C1CCN(C(=O)C=Cc2cc(Cl)ccc2Cl)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.45
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ENPP2 Q13822 2/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGAL P20701 2/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL6503990 1.00 CAPN1 (0.45) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6497734 0.92 RAB9A (0.53) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6497738 0.92 RAB9A (0.53) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6506032 0.89 POLB (0.49) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6506038 0.89 POLB (0.49) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6504678 0.88 CAPN1 (0.43) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6504675 0.88 CAPN1 (0.43) CAPN1RAB9AALDH1A1ENPP2MAPT
SCHEMBL6495356 0.88 ENPP2 (0.46) CAPN1ENPP2MAPTL3MBTL1ITGAL
SCHEMBL6495354 0.88 ENPP2 (0.46) CAPN1ENPP2MAPTL3MBTL1ITGAL
SCHEMBL6503636 0.87 ITGAL (0.51) CAPN1RAB9AALDH1A1MAPTL3MBTL1

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