SCHEMBL13160705

SCHEMBL13160705

CN(Cc1ccc(OCC(=O)O)c(-c2cccc(N)c2)c1)S(=O)(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.44
MAPT P10636 2/20 0.42
PTPN1 P18031 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
FFAR1 O14842 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL13161573 0.93 PTGDR2 (0.44) PTGDR2MAPTPTPN1TP53LMNA
SCHEMBL13160846 0.92 PTGDR2 (0.46) PTGDR2PTPN1CA12CA1CA2
SCHEMBL13160863 0.92 PTGDR2 (0.46) PTGDR2MAPTPTPN1FFAR1CA12
SCHEMBL13160872 0.91 PTGDR2 (0.44) PTGDR2MAPTPTPN1FFAR1
SCHEMBL13160702 0.91 PTGDR2 (0.44) PTGDR2PTPN1FFAR1
SCHEMBL2773676 0.91 PTGDR2 (0.53) PTGDR2MAPTPTPN1TP53LMNA
SCHEMBL13160878 0.91 PTGDR2 (0.47) PTGDR2CA12CA1CA2CA4
SCHEMBL13160869 0.90 PTGDR2 (0.44) PTGDR2MAPTPTPN1TP53LMNA
SCHEMBL13160800 0.90 PTGDR2 (0.45) PTGDR2MAPTPTPN1FFAR1
SCHEMBL13160865 0.89 PTGDR2 (0.44) PTGDR2PTPN1FFAR1

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
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed