SCHEMBL9253572

SCHEMBL9253572

CCCCC1(C=O)COC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 2/20 0.33
EPHX1 P07099 1/20 0.32
ADH4 P08319 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL9258508 0.86
SCHEMBL6898635 0.81
SCHEMBL18434959 0.77 EPHX1 (0.34) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL31076221 0.77 TSHR (0.35) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL1326477 0.77 TSHR (0.35) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL14894839 0.77
SCHEMBL9173367 0.76 CETP (0.33) ADH1BADH1CADH1AADH7TSHR
SCHEMBL22336042 0.75 CYP4F2 (0.33)
SCHEMBL16572531 0.75 SMN1; SMN2 (0.35) TSHR
SCHEMBL3193317 0.75 TSHR (0.39) ADH1BADH1CADH1AADH7EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed