SCHEMBL6497519

SCHEMBL6497519

CC(NC(=O)C1CCN(C(=O)/C=C/c2c(F)ccc(F)c2Cl)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 5/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
ALDH1A1 P00352 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL6497523 1.00 CAPN1 (0.45) CAPN1TDP1RAB9APOLBNPC1
SCHEMBL6498087 0.93 CAPN1 (0.43) CAPN1TDP1RAB9APOLBNPC1
SCHEMBL6498081 0.93 CAPN1 (0.43) CAPN1TDP1RAB9APOLBNPC1
SCHEMBL6495771 0.89 ITGAL (0.49) CAPN1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6495775 0.89 ITGAL (0.49) CAPN1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8296744 0.89 ITGAL (0.49) CAPN1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6497836 0.85 CAPN1 (0.46) CAPN1TDP1RAB9APOLBNPC1
SCHEMBL6497842 0.85 CAPN1 (0.46) CAPN1TDP1RAB9APOLBNPC1
SCHEMBL6499282 0.85 CAPN1 (0.50) CAPN1TDP1RAB9APOLBNPC1
SCHEMBL6499283 0.85 CAPN1 (0.50) CAPN1TDP1RAB9APOLBNPC1

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