SCHEMBL9788144

SCHEMBL9788144

O=CC1(C2CCCCC2)COC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 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
SCHEMBL9451643 0.93
SCHEMBL9521861 0.79 KCNA4 (0.33)
SCHEMBL3180740 0.78 ADH1A (0.33) ADH1BADH1CADH1AADH4
SCHEMBL3465699 0.76 ADH1A (0.32) ADH1BADH1CADH1AADH4
SCHEMBL2653668 0.76 ADH1A (0.32) ADH1BADH1CADH1AADH4
SCHEMBL31476927 0.76 ADH1A (0.32) ADH1BADH1CADH1AADH4
SCHEMBL31476907 0.76 ADH1A (0.32) ADH1BADH1CADH1AADH4
SCHEMBL21457789 0.76 ADH1A (0.32) ADH1BADH1CADH1AADH4
SCHEMBL9158295 0.76 ADH1A (0.32) ADH1BADH1CADH1AADH4
SCHEMBL11827376 0.74 ADH1A (0.31) ADH1BADH1CADH1AADH4

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-4985582-A CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM THE WELLCOME FOUNDATION LTD. (GB) 1991-01-15 US disclosed
EP-0216625-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-01 EP disclosed