SCHEMBL9535867

SCHEMBL9535867

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 17/20 0.55
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 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
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
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9534770 0.87 PTGER3 (0.53) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536012 0.87 PTGER3 (0.58) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9149838 0.85 PTGER3 (0.53) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536966 0.82 PTGER3 (0.67) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536753 0.75 PTGER3 (0.58) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9535849 0.75 PTGER3 (0.57) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9534859 0.75 MEN1 (0.41) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL20719732 0.74 PTGER3 (0.76) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9536319 0.73 PTGER3 (0.56) PTGER3ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9754352 0.73 PTGER3 (0.48) 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 3 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
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed