SCHEMBL7056919

SCHEMBL7056919

COC(=O)C(C(C)=O)C(C)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A2 P23975 3/20 0.43
CYP2C19 P33261 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
ITGA5 P08648 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHRNA3 P32297 1/20 0.43
HRH1 P35367 1/20 0.43
CHRNA7 P36544 1/20 0.43
OPRK1 P41145 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL7061732 0.87 HPGD (0.47) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL11261799 0.86 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL7061962 0.86 TP53 (0.42) SMN1; SMN2KMT2AMEN1NPC1ALDH1A1
SCHEMBL901126 0.81 BRD4 (0.56) SLC6A2CYP2C19SLC6A3CHRNB2CHRNB4
SCHEMBL7060845 0.81 ELANE (0.44) KMT2AMEN1OPRK1ALDH1A1HPGD
SCHEMBL11263287 0.81 KMT2A (0.48) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL3236310 0.81 KMT2A (0.56) KMT2AMEN1CYP2C19ALDH1A1PTGS1
SCHEMBL17291147 0.80 KMT2A (0.53) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL16364505 0.80 PTGS1 (0.60) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL9545044 0.80 PTGS1 (0.60) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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