SCHEMBL6847022

SCHEMBL6847022

CC(C)(C)OC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.53
BCL2 P10415 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BCL2L1 Q07817 2/20 0.44

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
SCHEMBL7975831 1.00 MCL1 (0.53) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL6847018 1.00 MCL1 (0.53) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL4313540 1.00 MCL1 (0.53) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL7975833 1.00 MCL1 (0.53) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL4313544 1.00 MCL1 (0.53) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL8999703 0.89 MCL1 (0.52) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL8999696 0.89 MCL1 (0.52) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL28845988 0.88 MCL1 (0.44) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL28845990 0.88 MCL1 (0.44) MCL1BCL2ALDH1A1LMNAMAPT
SCHEMBL28845991 0.88 MCL1 (0.44) MCL1BCL2ALDH1A1LMNAMAPT

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