SCHEMBL6842708

SCHEMBL6842708

CC(C)(C)OC(=O)N1CC(Oc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.51
USP30 Q70CQ3 1/20 0.48
UCHL1 P09936 1/20 0.46
HTRA1 Q92743 1/20 0.42
P2RX3 P56373 1/20 0.42

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
SCHEMBL9544995 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL192535 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL29015574 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL252870 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL192536 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL23452261 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL7462140 0.90 MCL1 (0.53) MCL1P2RX3
SCHEMBL27190373 0.90 MCL1 (0.53) MCL1P2RX3
SCHEMBL27190288 0.90 MCL1 (0.53) MCL1P2RX3
SCHEMBL7722150 0.90 MCL1 (0.50) 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 8 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
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO 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
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed