SCHEMBL1769887

SCHEMBL1769887

O=C(O)c1cc([Zn])c(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HSD17B10 Q99714 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
TPMT P51580 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
MAPT P10636 1/20 0.39
SELL P14151 1/20 0.39
HPGD P15428 1/20 0.39
SELP P16109 1/20 0.39

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
SCHEMBL23503 0.85 CA12 (0.48) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL27387572 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2115925 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL30636865 0.76 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL1552644 0.76 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL27968401 0.76 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL27968194 0.76 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL499452 0.76 DHODH (0.40) CA12CA1CA2CA7CA9
SCHEMBL10770976 0.76 TTR (0.56) CA12CA1CA2CA7CA9
SCHEMBL27968196 0.76 CA12 (0.54) CA12CA1CA2CA7CA9

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-20110111902-A1 Oil-resistant drive belt, particulary toothed belt CONTITECH ANTRIEBSSYSTEME GMBH 2011-05-12 US disclosed