SCHEMBL11405083

SCHEMBL11405083

[O-][N+](=Cc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.67
ALDH1A1 P00352 8/20 0.56
MAPT P10636 8/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ESR1 P03372 2/20 0.42
FBP1 P09467 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 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
SCHEMBL16154637 0.92 ALDH1A1 (0.67) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL7889050 0.92 ALDH1A1 (0.67) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL17271415 0.92 ALDH1A1 (0.67) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL11415889 0.90 ALDH1A1 (0.53) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL264277 0.85 ALDH1A1 (0.73) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL12349218 0.85 ALDH1A1 (0.73) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL264278 0.85 ALDH1A1 (0.73) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL11410242 0.83 ALDH1A1 (0.51) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL3718229 0.81 ALDH1A1 (0.69) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL11406403 0.81 ACHE (0.48) G6PDALDH1A1MAPTALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327601-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE AND CONVEYER BELT EACH MANUFACTURED USING SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-11-16 US claimed
US-20170327601-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE AND CONVEYER BELT EACH MANUFACTURED USING SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-11-16 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed