SCHEMBL9534770

SCHEMBL9534770

O=C(OCc1ccccc1)C(F)(F)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 16/20 0.53
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ENPP2 Q13822 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL9535867 0.87 PTGER3 (0.55) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9536966 0.83 PTGER3 (0.67) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9533858 0.75 KDM4E (0.39) ALDH1A1HPGDENPP2
SCHEMBL9536012 0.74 PTGER3 (0.58) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9149838 0.72 PTGER3 (0.53) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9535849 0.71 PTGER3 (0.57) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL20719732 0.70 PTGER3 (0.76) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL4431905 0.69 KDM4E (0.69) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9534054 0.68 PTGER3 (0.53) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL20719539 0.67 PTGER3 (1.00) PTGER3ALDH1A1CYP1A2HPGDHSD17B10

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-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed