SCHEMBL20649356

SCHEMBL20649356

CCCCC(C)/C=N/NC

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CTSK P43235 4/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
DNM1 Q05193 2/20 0.31
OPRM1 P35372 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
SCHEMBL20655343 0.76
SCHEMBL4271959 0.73 DNM1 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28387843 0.73
SCHEMBL21445133 0.70 TSHR (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8389775 0.70 TSHR (0.35) CA1CA2TSHRSMN1; SMN2ALDH1A1
SCHEMBL2376285 0.69 DNM1 (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3484833 0.69
SCHEMBL270382 0.69
SCHEMBL3485194 0.69
SCHEMBL4277169 0.69 OPRM1 (0.48) ADH1BADH1CADH1AADH4ADH7

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-2019014648-A1 PHOSPHOROTHIOATE-CONJUGATED PEPTIDES AND METHODS OF USING THE SAME CITY OF HOPE (US) 2019-01-17 WO disclosed