SCHEMBL7061395

SCHEMBL7061395

COC(=O)C(CCc1cc(OC)ccc1OC)=NO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
HSD17B10 Q99714 1/20 0.51
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
BRD4 O60885 1/20 0.47
AOC3 Q16853 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
IDO1 P14902 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
SCHEMBL7061393 1.00 MTNR1A (0.53) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7062724 0.88 HSD17B10 (0.48) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7062727 0.88 HSD17B10 (0.48) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7056859 0.87 HSD17B10 (0.47) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7056860 0.87 HSD17B10 (0.47) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7061798 0.83 CAPN1 (0.48) MTNR1AMTNR1BHSD17B10MEN1KMT2A
SCHEMBL7061799 0.83 CAPN1 (0.48) MTNR1AMTNR1BHSD17B10MEN1KMT2A
SCHEMBL7060135 0.83 MTNR1A (0.58) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7060928 0.82 MTNR1A (0.52) MTNR1AMTNR1BTAAR1KMT2ARAB9A
SCHEMBL64208 0.80 MTNR1A (0.61) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1

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