SCHEMBL9754352

SCHEMBL9754352

CCOC(=O)C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 14/20 0.48
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9536753 0.82 PTGER3 (0.58) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536319 0.78 PTGER3 (0.56) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9534054 0.74 PTGER3 (0.53) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9535867 0.73 PTGER3 (0.55) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536012 0.73 PTGER3 (0.58) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536877 0.72 PTGER3 (0.57) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9149838 0.72 PTGER3 (0.53) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL20719597 0.71 PTGER3 (0.51) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9754361 0.70 PTGER3 (0.55) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL20719343 0.70 PTGER3 (0.44) PTGER3ALDH1A1HPGDCYP1A2HSD17B10

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