SCHEMBL9809963

SCHEMBL9809963

CCCCC1C(=O)C2CCC=CC21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 2/20 0.30
THRB P10828 1/20 0.30
ELANE P08246 1/20 0.30
GRM2 Q14416 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9810044 0.90 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL9809823 0.83 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL9794184 0.83 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL9809848 0.70 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL10384910 0.70 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL9794353 0.66 ALDH1A1 (0.34) ALDH1A1THRB
SCHEMBL9750962 0.66 ALDH1A1 (0.34) ALDH1A1THRB
SCHEMBL9750977 0.66 ALDH1A1 (0.34) ALDH1A1THRB
SCHEMBL167414 0.65
SCHEMBL4864903 0.62 NFKB1 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255098-B1 Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
EP-0255098-A1 Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1988-02-03 EP disclosed
US-4678805-A Novel 8-(lower alkyl)bicyclo[4.2.0]octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1987-07-07 US disclosed