SCHEMBL8545462

SCHEMBL8545462

CCCOC(=O)NC(=N)c1ccc(C(=O)Nc2ccc3c(c2)CCC(CC(=O)O)O3)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.67
ITGA2B P08514 16/20 0.67
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6959301 0.92 ITGB3 (0.56) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL8541193 0.91 ITGB3 (0.74) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL6957424 0.86 ITGB3 (0.59) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL6958047 0.85 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL6951251 0.85 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL6953119 0.85 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL6954012 0.84 ITGB3 (0.59) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL8545467 0.84 ITGB3 (0.59) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL6951962 0.83 ITGB3 (0.70) ITGB3ITGA2BRAB9AMEN1KMT2A
SCHEMBL6948904 0.83 ITGB3 (0.69) ITGB3ITGA2BRAB9AMEN1KMT2A

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-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP disclosed