SCHEMBL9537548

SCHEMBL9537548

CCCCOC(=O)C(OC)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.53
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
TSHR P16473 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL9536319 0.89 PTGER3 (0.56) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9534860 0.82 PTGER3 (0.61) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9536042 0.80 PTGER3 (0.55) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9535129 0.78 PPARG (0.37) ALDH1A1HPGDKDM4ETSHR
SCHEMBL9536877 0.78 PTGER3 (0.57) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9536753 0.76 PTGER3 (0.58) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9754361 0.76 PTGER3 (0.55) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9537802 0.70 PTGER3 (0.62) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL20719764 0.69 PTGER3 (1.00) PTGER3
SCHEMBL20718991 0.69 PTGER3 (0.74) PTGER3

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 4 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 claimed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO claimed
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