SCHEMBL9750977

SCHEMBL9750977

O=C1C(Br)[C@H]2C=CCC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
THRB P10828 1/20 0.32

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
SCHEMBL9750962 1.00 ALDH1A1 (0.34) ALDH1A1THRB
SCHEMBL9809848 0.75 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL9794353 0.75 ALDH1A1 (0.34) ALDH1A1THRB
SCHEMBL10384910 0.75 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL9809823 0.71 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL15600023 0.71
SCHEMBL9810044 0.68 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL12186702 0.68
SCHEMBL31495971 0.66 CNR2 (0.30)
SCHEMBL9809963 0.66 NFKB1 (0.35) ALDH1A1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049497-A Novel process for the synthesis of the enantiomers of bicyclo(4.2.0)oct-2-en-7-one and derivatives SYNTEX (U.S.A.) INC. (US) 1991-09-17 US disclosed
EP-0257610-A2 Process and intermediates for the synthesis of the enantiomers of bicyclo(4.2.0)oct-2-en-7-one and derivatives and for the synthesis of bicyclo(4.2.0)octane derivatives SYNTEX (U.S.A.) INC. (US) 1988-03-02 EP disclosed