SCHEMBL8577970

SCHEMBL8577970

CC(C)(C)OC1C=CC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.46
NFKB2 Q00653 5/20 0.46
RELA Q04206 5/20 0.46
MAPK1 P28482 1/20 0.32
PIM1 P11309 1/20 0.30

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
SCHEMBL7052576 0.77 MAPK1 (0.41) NFKB1NFKB2RELAMAPK1
SCHEMBL13940276 0.76
SCHEMBL14209522 0.76
SCHEMBL852586 0.73 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL968866 0.73 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL968867 0.73 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL9856833 0.73 NFKB1 (0.49) NFKB1NFKB2RELAMAPK1
SCHEMBL8578253 0.72 NFKB1 (0.41) NFKB1NFKB2RELA
SCHEMBL3449840 0.71 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL5634238 0.71 NFKB1 (0.37) NFKB1NFKB2RELA

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-5808112-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-09-15 US disclosed
US-5728899-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-03-17 US disclosed
EP-0817764-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-01-14 EP disclosed
WO-1996030320-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-10-03 WO disclosed
EP-0299907-B1 Process for the preparation of diesters of symmetrical bicyclo[3.3.0]octanedionedicarboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-04 EP disclosed
US-4912251-A Process for manufacturing symmetrical diesters of bicyclo[3.3.0]-octanedione dicarboxylic acid SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
WO-1989000555-A1 PROCESS FOR MANUFACTURING SYMMETRICAL DIESTERS OF BICYCLO[3.3.0]-OCTANEDIONE DICARBOXYLIC ACID SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1989-01-26 WO disclosed
EP-0299907-A1 Process for the preparation of diesters of symmetrical bicyclo[3.3.0]octanedionedicarboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1989-01-18 EP disclosed