SCHEMBL8865699

SCHEMBL8865699

O=C(O)C(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.63
PPARA Q07869 4/20 0.63
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
PPARD Q03181 1/20 0.56
LTA4H P09960 2/20 0.56
LAP3 P28838 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
MAOB P27338 2/20 0.54
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL8332027 0.95 PPARG (0.64) PPARGPPARAFFAR1FFAR4PPARD
SCHEMBL28779136 0.86 PPARG (0.60) PPARGPPARAFFAR1FFAR4PPARD
SCHEMBL7142420 0.85 KMT2A (0.61) PPARGPPARAFFAR1NR4A2MAOB
SCHEMBL6940109 0.85 MAOB (0.57) PPARGPPARAFFAR1PPARDMAOB
SCHEMBL14021577 0.85 LMNA (0.62) PPARGPPARAFFAR1FFAR4PPARD
SCHEMBL7801265 0.84 PPARA (0.70) PPARGPPARAFFAR1FFAR4PPARD
SCHEMBL67234 0.83 EPHX1 (0.71) CYP1A2PTGS1CYP2C19EPHX1
SCHEMBL599399 0.83 EPHX1 (0.71) CYP1A2PTGS1CYP2C19EPHX1
SCHEMBL3079795 0.83 EPHX1 (0.71) CYP1A2PTGS1CYP2C19EPHX1
SCHEMBL7908556 0.82 MAOB (0.56) PPARGPPARAFFAR1PPARDNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 US disclosed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US disclosed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed