SCHEMBL774884

SCHEMBL774884

C=C(C)C(=O)OCc1ccc(O)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.36
MET P08581 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL27417582 0.84 POLB (0.35) POLBMETALDH1A1MEN1KMT2A
SCHEMBL2506944 0.82 P4HTM (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL254038 0.81 ALDH1A1 (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL92326 0.80 MEN1 (0.53) POLBAPEX1HTTTDP1TSHR
SCHEMBL24019226 0.76 ALDH1A1 (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL16125663 0.76 ALDH1A1 (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL17791311 0.76 ALDH1A1 (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL15944747 0.76 ALDH1A1 (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL27944355 0.76 TSHR (0.37) POLBAPEX1HTTTDP1TSHR
SCHEMBL774736 0.75 KMT2A (0.50) HTTTDP1ALDH1A1MEN1KMT2A

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-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed