SCHEMBL8253296

SCHEMBL8253296

Cc1cccc(/C=C/c2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.50
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
NFE2L2 Q16236 1/20 0.43
POLB P06746 1/20 0.43
NR1H3 Q13133 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
UNG P13051 1/20 0.41
FBP1 P09467 2/20 0.41
RELA Q04206 1/20 0.41
PTPN1 P18031 1/20 0.41
HNF4A P41235 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
SCHEMBL8475379 0.85 BCL2L1 (0.54) TTRBCL2L1BADNFE2L2SRD5A1
SCHEMBL10804476 0.85 BCL2L1 (0.54) TTRBCL2L1BADNFE2L2SRD5A1
SCHEMBL9797931 0.84 GRIK1 (0.55) TTRBCL2L1BADMAOAMAOB
SCHEMBL10496436 0.84 GRIK1 (0.55) TTRBCL2L1BADMAOAMAOB
SCHEMBL12062910 0.83 BCL2L1 (0.50) TTRBCL2L1BADSRD5A1SRD5A2
SCHEMBL8257425 0.83 BCL2L1 (0.50) TTRBCL2L1BADSRD5A1SRD5A2
SCHEMBL11687899 0.82 NFE2L2 (0.55) MAOAMAOBNFE2L2RELA
SCHEMBL11687908 0.82 NFE2L2 (0.55) MAOAMAOBNFE2L2RELA
SCHEMBL4138829 0.79 BCL2L1 (0.49) TTRBCL2L1BADMAOAMAOB
SCHEMBL9095657 0.76 TTR (0.59) TTRBCL2L1BADSRD5A1SRD5A2

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-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed