SCHEMBL7306591

SCHEMBL7306591

CC(C)(C)OC(=O)N1CCC(N2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
GPR119 Q8TDV5 9/20 0.40
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EPHX2 P34913 1/20 0.38
FPR2 P25090 1/20 0.38
RECQL P46063 1/20 0.38
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL7235475 0.85 USP30 (0.32) TP53GPR119USP30
SCHEMBL7311913 0.84 TP53 (0.47) TP53GPR119USP30JAK2JAK1
SCHEMBL7313802 0.81 HTR2B (0.36)
SCHEMBL7236582 0.79 CHRM2 (0.38) GPR119RECQLMAPT
SCHEMBL7227965 0.78 HTR2B (0.37)
SCHEMBL25614813 0.78 VNN1 (0.47) TP53GPR119USP30FPR2RECQL
SCHEMBL12356915 0.78 HTR2B (0.40)
SCHEMBL12356916 0.78 HTR2B (0.40)
SCHEMBL7228352 0.78 CHRM2 (0.41) GPR119EPHX2
SCHEMBL7227670 0.78 CHRM2 (0.41) GPR119EPHX2

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed