SCHEMBL7478300

SCHEMBL7478300

CCOC(=O)c1ccccc1Cc1[nH]c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRG2 P18507 4/20 0.52
GABRB3 P28472 4/20 0.52
GABRA5 P31644 4/20 0.52
GABRA3 P34903 4/20 0.52
GABRA2 P47869 4/20 0.52
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
LTA4H P09960 2/20 0.47

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
SCHEMBL7476207 0.94 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7475418 0.91 DHODH (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7472435 0.81 ALOX5 (0.64) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL28819188 0.76 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25904024 0.76 ALDH1A1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8136752 0.76 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8540181 0.74 ALDH1A1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7480676 0.73 CYSLTR1 (0.51) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL25904016 0.72 TRPM8 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28497681 0.72 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3

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-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed