SCHEMBL7061889

SCHEMBL7061889

CCOC(=O)C(CCc1ccc(C)cc1C)=NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KYAT1 Q16773 1/20 0.40
NLRP3 Q96P20 1/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL7061887 1.00 MEN1 (0.43) MEN1KMT2ASMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL7060368 0.87 NPC1 (0.38) MEN1KMT2ASMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL7060367 0.87 NPC1 (0.38) MEN1KMT2ASMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL7061246 0.85 PTGER1 (0.43) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7061244 0.85 PTGER1 (0.43) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7060178 0.84 ALDH1A1 (0.35) KMT2ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7057046 0.83 CTBP2 (0.51) MEN1KMT2ASMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL7059853 0.82 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL14849146 0.79 CYP4F2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL7061467 0.75 CYP4F2 (0.44) MEN1KMT2ASMN1; SMN2APOBEC3AAPOBEC3G

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