SCHEMBL13896286

SCHEMBL13896286

CCO[Si](CCCNC(=O)Nc1ccc([SH](=O)=O)cc1)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.45
EPHX1 P07099 4/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL21581791 0.92 EPHX1 (0.51) MAPTLMNAALDH1A1EPHX1HTT
SCHEMBL19091261 0.86 ALDH1A1 (0.56) MAPTLMNAALDH1A1EPHX1HTT
SCHEMBL21357360 0.85 EPHX1 (0.48) MAPTLMNAALDH1A1EPHX1HTT
SCHEMBL6280635 0.85 EPHX1 (0.62) MAPTLMNAALDH1A1EPHX1HTT
SCHEMBL22579080 0.84 NAMPT (0.50) LMNAALDH1A1EPHX1HTTKMT2A
SCHEMBL22579084 0.84 NAMPT (0.50) LMNAALDH1A1EPHX1HTTKMT2A
SCHEMBL17030473 0.84 KEAP1 (0.52) MAPTALDH1A1EPHX1HTTKMT2A
SCHEMBL28420696 0.81 EPHX1 (0.65) LMNAALDH1A1EPHX1HTTKMT2A
SCHEMBL3851790 0.81 EPHX1 (0.51) MAPTLMNAALDH1A1EPHX1HTT
SCHEMBL6275597 0.81 HTT (0.58) MAPTLMNAALDH1A1HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8313885-B2 Lithographic printing plate precursor comprising bi-functional compounds AGFA GRAPHICS NV (BE) 2012-11-20 US disclosed
US-20070105041-A1 Lithographic printing plate comprising bi-functional compounds AGFA-GEVAERT (BE) 2007-05-10 US disclosed