SCHEMBL6869166

SCHEMBL6869166

OC(O)C(Cc1ccc(Oc2ccccc2)cc1)C(O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.57
FFAR1 O14842 2/20 0.53
PPARG P37231 7/20 0.51
PPARA Q07869 7/20 0.51
SRD5A2 P31213 3/20 0.47
NR1H2 P55055 1/20 0.47
BAX Q07812 1/20 0.47
PPARD Q03181 2/20 0.47
TSHR P16473 1/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ACACB O00763 1/20 0.44

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
SCHEMBL19112060 0.81 LTA4H (0.53) LTA4HFFAR1PPARGPPARAPPARD
SCHEMBL6869013 0.81 FFAR1 (0.56) LTA4HFFAR1PPARGPPARAFFAR4
SCHEMBL4375977 0.81 LTA4H (0.57) LTA4HFFAR1PPARGPPARASRD5A2
SCHEMBL19112059 0.80 LTA4H (0.56) LTA4HFFAR1PPARGPPARASRD5A2
SCHEMBL10187484 0.78 PPARG (0.54) LTA4HFFAR1PPARGPPARASRD5A2
SCHEMBL19112028 0.78 SRR (0.49) FFAR1PPARGPPARATSHRMMP12
SCHEMBL9082119 0.77 PPARG (0.56) LTA4HFFAR1PPARGPPARASRD5A2
SCHEMBL14210014 0.77 PPARG (0.65) LTA4HFFAR1PPARGPPARASRD5A2
SCHEMBL28624377 0.77 LTA4H (0.52) LTA4HFFAR1PPARGPPARASRD5A2
SCHEMBL17539605 0.77 FFAR1 (0.57) LTA4HFFAR1PPARGPPARASRD5A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed