SCHEMBL7061244

SCHEMBL7061244

Cc1ccc(CC/C(=N/O)C(=O)OCc2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
GAA P10253 1/20 0.42
CTBP2 P56545 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.39
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
OPRK1 P41145 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7061246 1.00 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2GAA
SCHEMBL7057964 0.88 CTBP2 (0.50) PTGER1PTGER4PTGER3PTGER2CTBP2
SCHEMBL7058748 0.85 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2GAA
SCHEMBL7061889 0.85 MEN1 (0.43) GAACTBP2NPC1RAB9ALMNA
SCHEMBL7061887 0.85 MEN1 (0.43) GAACTBP2NPC1RAB9ALMNA
SCHEMBL7060367 0.81 NPC1 (0.38) CTBP2NPC1RAB9ALMNAALDH1A1
SCHEMBL7060368 0.81 NPC1 (0.38) CTBP2NPC1RAB9ALMNAALDH1A1
SCHEMBL7061545 0.80 TDP1 (0.50) CTBP2LMNAALDH1A1FFAR1KMT2A
SCHEMBL7640522 0.78 TSHR (0.54) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL7640527 0.78 TSHR (0.54) PTGER1PTGER4PTGER3PTGER2ALDH1A1

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