SCHEMBL6847593

SCHEMBL6847593

CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.45
BCL2 P10415 5/20 0.43
BCL2L1 Q07817 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
UCHL1 P09936 1/20 0.41

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
SCHEMBL7971995 1.00 MCL1 (0.45) MCL1BCL2BCL2L1ALDH1A1HTT
SCHEMBL6847596 1.00 MCL1 (0.45) MCL1BCL2BCL2L1ALDH1A1HTT
SCHEMBL7971998 1.00 MCL1 (0.45) MCL1BCL2BCL2L1ALDH1A1HTT
SCHEMBL27017367 0.90 MCL1 (0.44) MCL1BCL2BCL2L1GPR119UCHL1
SCHEMBL3264785 0.83 UCHL1 (0.43) MCL1GPR119UCHL1
SCHEMBL16370639 0.83 MCL1 (0.43) MCL1UCHL1
SCHEMBL16369937 0.83 MCL1 (0.43) MCL1UCHL1
SCHEMBL3264786 0.83 UCHL1 (0.43) MCL1GPR119UCHL1
SCHEMBL16369939 0.83 MCL1 (0.43) MCL1UCHL1
SCHEMBL23452261 0.81 MCL1 (0.51) MCL1UCHL1

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-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed