SCHEMBL20158449

SCHEMBL20158449

COC(=O)COCCCOCCOCCOCCONC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ APLNR P35414 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA1 P00915 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CTSK P43235 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL20158288 0.95 CA2 (0.40) CA12CA2CA14APLNRTDP1
SCHEMBL5494091 0.84 APLNR (0.40) CA12CA2CA14APLNRTDP1
SCHEMBL20158289 0.81 APLNR (0.37) CA12CA2CA14APLNRTDP1
SCHEMBL18906915 0.81 APLNR (0.37) CA12CA2CA14APLNRTDP1
SCHEMBL18906911 0.81 APLNR (0.37) CA12CA2CA14APLNRTDP1
SCHEMBL22515382 0.81 CA2 (0.36) CA12CA2CA14APLNRTDP1
SCHEMBL21694996 0.80 APLNR (0.40) CA12CA2CA14APLNRTDP1
SCHEMBL22339730 0.80 ADORA1 (0.37) CA12CA2CA14APLNRTDP1
SCHEMBL22030517 0.79 CA12 (0.46) CA12CA2CA14APLNRTDP1
SCHEMBL30737403 0.78 TDP1 (0.56) CA12CA2TDP1MAOAMAOB

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-2018090045-A1 ANTIBODY-DRUG CONJUGATES CHO PHARMA INC (TW) 2018-05-17 — — WO disclosed
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