SCHEMBL7777932

SCHEMBL7777932

O=C(O)c1ccc(OCCCCCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 7/20 0.59
PKM P14618 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
RARB P10826 4/20 0.55
HTT P42858 1/20 0.51
PLA2G4A P47712 2/20 0.49
PTPN11 Q06124 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GAA P10253 1/20 0.49

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
Terephthalic Acid SCHEMBL9455932 0.91 RARB (0.70) PLA2G4BTP53TSHRRARBHTT
SCHEMBL7776759 0.90 PKM (0.61) PLA2G4BPKMTP53TSHRRARB
SCHEMBL7776533 0.87 MAPT (0.60) PLA2G4BFFAR1FFAR4GAA
SCHEMBL6238338 0.81 FFAR1 (0.66) PLA2G4BPKMFFAR1FFAR4
SCHEMBL4366698 0.80 PLA2G4B (0.86) PLA2G4BPKMTP53TSHRRARB
SCHEMBL4373447 0.80 PLA2G4B (0.86) PLA2G4BPKMTP53TSHRRARB
SCHEMBL7610156 0.79 PKM (0.77) PLA2G4BPKMTP53TSHRRARB
SCHEMBL9715178 0.79 RARB (0.61) RARB
SCHEMBL8769292 0.79 RARB (0.61) RARB
SCHEMBL8769320 0.79 RARB (0.61) RARB

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