SCHEMBL24716629

SCHEMBL24716629

CC1CC2(C1)CC(NC=O)C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.44
ADH1A P07327 4/20 0.44
ADH1C P00326 3/20 0.41
ADH7 P40394 2/20 0.41
ADH4 P08319 1/20 0.39

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
SCHEMBL19872341 0.77 ADH1B (0.44) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19872374 0.74 ADH1B (0.41) ADH1BADH1AADH1CADH7ADH4
SCHEMBL20064408 0.74 ADH1B (0.37) ADH1BADH1AADH1CADH7ADH4
SCHEMBL23573330 0.72 ADH1B (0.39) ADH1BADH1AADH1CADH7ADH4
SCHEMBL16412698 0.71 ADH1B (0.42) ADH1BADH1AADH1CADH7ADH4
SCHEMBL18488610 0.71
SCHEMBL18069851 0.70
SCHEMBL90869 0.70 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19431095 0.70 ADH1B (0.37) ADH1BADH1AADH1CADH7ADH4
SCHEMBL1766324 0.69 ADH1B (0.74) ADH1BADH1AADH1CADH7ADH4

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
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 WO disclosed