SCHEMBL13627465

SCHEMBL13627465

C=C(C)C(=O)OCC(O)C(=O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CA12 O43570 5/20 0.36
CA7 P43166 5/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
S100A4 P26447 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA9 Q16790 1/20 0.33
ELANE P08246 1/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 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
SCHEMBL4449507 0.80 TSHR (0.40) TSHRCA12CA7CA1CA2
SCHEMBL14383793 0.79 ALDH1A1 (0.39) CA12CA7CA1CA2CA4
SCHEMBL29402768 0.79 ALDH1A1 (0.43) CA12CA7CA1CA2CA4
SCHEMBL1173800 0.79 ALDH1A1 (0.43) CA12CA7CA1CA2CA4
SCHEMBL27870118 0.78 CA12 (0.37) CA12CA7CA1CA2CA4
SCHEMBL16284701 0.77 PTPN1 (0.45) TSHRCA12CA7CA1CA2
SCHEMBL16284703 0.76 MAPK1 (0.42) CA12CA7CA1CA2CA4
SCHEMBL21695478 0.74 CA12 (0.30) CA12CA7CA1
SCHEMBL31327422 0.74 PTPN1 (0.35) TSHRCA12CA7CA1CA2
SCHEMBL7543881 0.72 CA12 (0.37) CA12CA7CA1CA2CA4

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-20090292075-A1 CURABLE COMPOSITION FOR DAMPING MATERIAL AND DAMPING MATERIAL KANEKA CORPORATION (JP) 2009-11-26 US disclosed