SCHEMBL7475795

SCHEMBL7475795

COc1ccccc1-c1c(OC)cccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
FABP3 P05413 1/20 0.56
FABP4 P15090 1/20 0.56
FABP5 Q01469 1/20 0.56
GPR35 Q9HC97 1/20 0.55
MYC P01106 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 7/20 0.51
HPGD P15428 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL28370924 0.91 MYC (0.61) HTTFABP3FABP4FABP5GPR35
SCHEMBL15517040 0.89 GPR35 (0.57) HTTFABP3FABP4FABP5GPR35
SCHEMBL14675659 0.89 HTT (0.53) HTTFABP3FABP4FABP5GPR35
SCHEMBL7794937 0.88 FABP3 (0.49) HTTFABP3FABP4FABP5GPR35
SCHEMBL17258265 0.87 MYC (0.53) HTTFABP3FABP4FABP5GPR35
SCHEMBL7481393 0.85 TSHR (0.63) HTTFABP3FABP4FABP5ALDH1A1
SCHEMBL7128802 0.85 KCNK3 (0.51) HTTFABP3FABP4FABP5GPR35
SCHEMBL5845535 0.84 FABP4 (0.70) HTTFABP3FABP4FABP5CA12
SCHEMBL536179 0.84 HTT (0.62) HTTGPR35MYCCA12CA1
SCHEMBL6681669 0.84 MAOB (0.49) HTTFABP3FABP4FABP5CA12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023293-A4 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-20 EP disclosed
EP-1032384-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6277843-B1 USEFUL AGAINST GRAMPOSITIVE BACTERIA, I.E., METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS, WITH REDUCED SIDE EFFECTS MERCK & CO., INC. 2001-08-21 US disclosed
US-6207823-B1 ANTIBIOTIC; ANTIBIOTIC RESISTANT INFECTIONS MERCK & CO., INC. 2001-03-27 US disclosed
EP-1032384-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
EP-1023293-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999020270-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999014217-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-03-25 WO disclosed