SCHEMBL7109573

SCHEMBL7109573

CC(c1ccc(O)cc1)c1ccc(O)cc1.O=[N+]([O-])c1cc(Cc2ccc(O)c([N+](=O)[O-])c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 1/20 0.44
PDCD1 Q15116 1/20 0.44
ESR2 Q92731 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL30477507 0.83 SNCA (0.62) SNCAPOLBMAPTNPSR1ALDH1A1
SCHEMBL69585 0.83 SNCA (0.62) SNCAPOLBMAPTNPSR1ALDH1A1
SCHEMBL833871 0.77 POLB (0.48) SNCAPOLBMAPTNPSR1ESR1
SCHEMBL1109007 0.76 GABRA1 (0.54) SNCAPOLBMAPTNPSR1ESR1
SCHEMBL16598549 0.76 ESR1 (0.67) ESR1PDCD1ESR2CD274TP53
SCHEMBL1601110 0.76 IDH1 (0.58) SNCAPOLBMAPTNPSR1ALDH1A1
SCHEMBL27809703 0.75 ESR1 (0.73) MAPTESR1PDCD1ESR2CD274
SCHEMBL5691635 0.75 ESR1 (0.73) MAPTESR1PDCD1ESR2CD274
SCHEMBL8386834 0.74 MAPT (0.56) MAPTESR1ESR2ALDH1A1MAPK1
SCHEMBL1025776 0.74 POLB (0.56) SNCAPOLBMAPTNPSR1ALDH1A1

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-0738579-B1 Production method of polycarbonate MITSUBISHI GAS CHEMICAL CO (JP) 2003-10-29 EP disclosed
US-5777064-A TRANSESTERIFICATION; MELTING; KNEADING ACIDIC COMPOUND INTO MOLTEN POLYCARBONATE TO CONTINUOUSLY DEVOLATILIZE LOW MOLECULAR WEIGHT COMPOUNDS REMAINING IN POLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-07 US disclosed
EP-0320647-A2 Polycarbonate composition with low heat distortion GENERAL ELECTRIC COMPANY (US) 1989-06-21 EP disclosed