SCHEMBL7056860

SCHEMBL7056860

COc1ccc(OC)c(CCC(=NO)C(=O)OC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTR2A P28223 1/20 0.44
POLB P06746 1/20 0.42
AOC3 Q16853 1/20 0.42
BRD4 O60885 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7056859 1.00 HSD17B10 (0.47) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7061393 0.87 MTNR1A (0.53) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7061395 0.87 MTNR1A (0.53) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7060604 0.85 HSD17B10 (0.51) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7062724 0.84 HSD17B10 (0.48) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7062727 0.84 HSD17B10 (0.48) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7056454 0.84 MTNR1A (0.45) MTNR1AMTNR1BTAAR1NPC1RAB9A
SCHEMBL7061322 0.81 ALDH1A1 (0.52) POLBNPC1RAB9AKMT2A
SCHEMBL7061323 0.80 KMT2A (0.49) MEN1KMT2A
SCHEMBL7061321 0.80 KMT2A (0.49) MEN1KMT2A

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