SCHEMBL7055609

SCHEMBL7055609

COc1ccc(CCC(=NO)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 2/20 0.71
F2RL1 P55085 1/20 0.58
FFAR1 O14842 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
ALOX5 P09917 1/20 0.49
KMT2A Q03164 2/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL7062735 0.86 F2RL1 (0.61) CTBP2F2RL1FFAR1NPC1RAB9A
SCHEMBL7824048 0.83 CTBP2 (1.00) CTBP2ALDH1A1POLBHDAC3HDAC4
SCHEMBL7061322 0.81 ALDH1A1 (0.52) CTBP2F2RL1FFAR1NPC1RAB9A
SCHEMBL7057254 0.81 NPC1 (0.55) CTBP2F2RL1FFAR1NPC1RAB9A
SCHEMBL28141430 0.80 F2RL1 (0.66) CTBP2F2RL1FFAR1NPC1RAB9A
SCHEMBL30792366 0.79 FFAR1 (0.81) F2RL1FFAR1NPC1RAB9AALDH1A1
SCHEMBL274471 0.79 FFAR1 (0.81) F2RL1FFAR1NPC1RAB9AALDH1A1
SCHEMBL7637041 0.77 ALOX5 (0.56) CTBP2F2RL1RAB9AALDH1A1POLB
SCHEMBL7329940 0.77 F2RL1 (0.85) F2RL1FFAR1NPC1RAB9AALDH1A1
SCHEMBL1921185 0.77 F2RL1 (0.62) F2RL1FFAR1NPC1RAB9AALDH1A1

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-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed