SCHEMBL7236582

SCHEMBL7236582

CC(C)(C)OC(=O)N1CCN(CCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 8/20 0.35
STAT3 P40763 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
SETD7 Q8WTS6 1/20 0.34
RECQL P46063 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL7227670 0.94 CHRM2 (0.41) CHRM2CHRM1GPR119STAT3CHRM4
SCHEMBL7228352 0.94 CHRM2 (0.41) CHRM2CHRM1GPR119STAT3ACKR3
SCHEMBL7313718 0.86 SIGMAR1 (0.31)
SCHEMBL7305151 0.82 MAPK1 (0.39)
SCHEMBL7310460 0.81 SIGMAR1 (0.34) CHRM2CHRM1STAT3
SCHEMBL7313917 0.81 SIGMAR1 (0.34) CHRM2CHRM1STAT3
SCHEMBL7306591 0.79 TP53 (0.42) GPR119RECQLMAPT
SCHEMBL7314320 0.78 MAPK1 (0.37)
SCHEMBL7229542 0.75 MAPK1 (0.32)
SCHEMBL7305380 0.75 MAPK1 (0.46) SMN1; SMN2RECQLMEN1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed