SCHEMBL7466571

SCHEMBL7466571

NC(=S)c1ccc(N2CC(C(=O)N3CCC(OC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 1/20 0.38
GRM2 Q14416 1/20 0.36
PDE4B Q07343 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ITGB3 P05106 6/20 0.34
PRSS1 P07477 6/20 0.34
PRSS2 P07478 6/20 0.34
ITGA2B P08514 6/20 0.34
PRSS3 P35030 6/20 0.34
F10 P00742 4/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL7462601 0.92 PRSS1 (0.41) SMN1; SMN2CYP2C19GRM2PDE4BNPC1
SCHEMBL8892948 0.88 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL7517993 0.85 L3MBTL1 (0.40) SMN1; SMN2GRM2NPC1RAB9ACTSL
SCHEMBL8893028 0.84 ITGB3 (0.43) SMN1; SMN2CYP2C19GRM2KCNH2HPGD
SCHEMBL7462288 0.80 LMNA (0.40) PDE4BGPR119
SCHEMBL8894267 0.79 PRSS1 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL8893356 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL8316057 0.76 PRSS1 (0.46) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8312993 0.76 PRSS1 (0.46) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8313362 0.76 PRSS1 (0.46) GRM2ITGB3PRSS1PRSS2ITGA2B

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed