SCHEMBL7101592

SCHEMBL7101592

O=C(CC(Oc1ccc(NC(=O)c2ccc(Nc3ncc[nH]3)cc2)cc1)c1ccccc1)OC(=O)CC(Oc1ccccc1NC(=O)c1ccc(Nc2ccccn2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SMO Q99835 2/20 0.36
MAPK14 Q16539 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
SCHEMBL7101588 0.94 RAB9A (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2837319 0.83 MAPT (0.42) RAB9AMAPTMEN1KMT2AADRA1D
SCHEMBL2833521 0.82 ITGB3 (0.42) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2839637 0.81 RAB9A (0.44) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2835959 0.80 CHRNB2 (0.47) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL2837227 0.77 ITGB3 (0.43) RAB9AMAPTMEN1KMT2A
SCHEMBL2838982 0.77 MAPK1 (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2841296 0.75 ITGB3 (0.44) MAPT
SCHEMBL2832143 0.75 ITGB3 (0.45) RAB9ANPC1KMT2A
SCHEMBL2836433 0.74 MAPK1 (0.51) RAB9ANPC1MAPTMEN1KMT2A

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
EP-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP disclosed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 WO disclosed