SCHEMBL20748762

SCHEMBL20748762

C/C=C\C(=C/OC)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
CA2 P00918 2/20 0.33
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BTK Q06187 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
SCHEMBL20748761 0.82 CTSK (0.38) CTSKCA2DGAT1CA1CA7
SCHEMBL19432382 0.78 CTSK (0.36) CTSKCA2CA1CA7NFKB1
SCHEMBL5409226 0.76 CTSK (0.45) CTSKCA2DGAT1CA1CA7
SCHEMBL5409221 0.76 CTSK (0.45) CTSKCA2DGAT1CA1CA7
SCHEMBL20686893 0.74 CTSK (0.33) CTSKCA2CA1CA7
SCHEMBL19193058 0.73 CTSK (0.39) CTSKCA2DGAT1CA1CA7
SCHEMBL25793732 0.71 DGAT1 (0.35) CTSKCA2DGAT1CA1CA7
SCHEMBL18786582 0.71 CTSK (0.37) CTSKCA2DGAT1CA1CA7
SCHEMBL101218 0.70 DGAT1 (0.46) CTSKCA2DGAT1CA1CA7
SCHEMBL3509747 0.68 DGAT1 (0.46) CTSKCA2DGAT1CA1CA7

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
EP-3134124-B1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2019-02-20 EP disclosed