SCHEMBL7776759

SCHEMBL7776759

O=C(O)c1ccc(OCCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
GAA P10253 1/20 0.53
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 3/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
PTGER4 P35408 2/20 0.49
PLA2G4B P0C869 1/20 0.49
FOLH1 Q04609 1/20 0.49
PTGER1 P34995 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
RARB P10826 3/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7777932 0.90 PLA2G4B (0.59) PKMGAAFFAR1FFAR4PLA2G4B
SCHEMBL7774863 0.86 MAPT (0.65) GAAFFAR1FFAR4PTGER4TSHR
SCHEMBL6238338 0.85 FFAR1 (0.66) PKMFFAR1FFAR4NR4A2NR4A1
Water SCHEMBL9770464 0.82 ALDH1A1 (0.53) FFAR1FFAR4PTGER4PTGER1PTGER3
Terephthalic Acid SCHEMBL9455932 0.82 RARB (0.70) PLA2G4BRARBTP53TSHR
SCHEMBL16368720 0.82 PKM (0.65) PKMGAANR4A2NR4A1NR4A3
Biphenyl SCHEMBL10599836 0.81 ALDH1A1 (0.52) FFAR1FFAR4PTGER4PTGER1PTGER3
SCHEMBL5863071 0.80 PKM (0.54) PKMGAAFFAR4NR4A2NR4A1
2-Phenylphenol SCHEMBL28716069 0.79 PKM (0.61) PKMGAANR4A2NR4A1NR4A3
SCHEMBL6240018 0.78 PPARA (0.55) FFAR1FFAR4RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed