SCHEMBL12323751

SCHEMBL12323751

Nc1cc(Cl)ccc1-c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
ACMSD Q8TDX5 6/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 3/20 0.52
DHFR P00374 2/20 0.52
MEN1 O00255 2/20 0.52
HIF1A Q16665 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TTR P02766 1/20 0.52
ALB P02768 1/20 0.52
HMGB1 P09429 1/20 0.52
CXCL12 P48061 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
MCL1 Q07820 6/20 0.51
HNF4A P41235 1/20 0.50

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
SCHEMBL412559 0.84 CA1 (0.71) CA1CA2ACMSDALDH1A1HPGD
SCHEMBL2403560 0.84 CA1 (0.76) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL130605 0.82 CA1 (1.00) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL29499764 0.82 CA1 (1.00) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL6855770 0.80 CA1 (0.96) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL27653659 0.80 CA1 (0.96) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL943143 0.80 CA1 (0.96) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL27653684 0.80 CA1 (0.96) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL11158036 0.80 CA1 (0.96) CA1CA2ACMSDALDH1A1HPGD
5-Chlorosalicylic Acid SCHEMBL27673709 0.80 CA1 (0.96) CA1CA2ACMSDALDH1A1HPGD

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-1988397-B1 COMPOSITIONS AND USES FOR STABILISING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2011-09-14 EP disclosed