SCHEMBL7060604

SCHEMBL7060604

COc1ccc(OC)c(CCC(=O)C(=O)OC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HTR2A P28223 1/20 0.48
AOC3 Q16853 1/20 0.46
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
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
SCHEMBL7060135 0.86 MTNR1A (0.58) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7056860 0.85 HSD17B10 (0.47) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7056859 0.85 HSD17B10 (0.47) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7061437 0.82 HSD17B10 (0.52) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7057018 0.82 MTNR1A (0.49) TAAR1MTNR1AMTNR1B
SCHEMBL7332981 0.79 HSD17B10 (0.63) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7061434 0.79 ALDH1A1 (0.57)
SCHEMBL491188 0.78 HSD17B10 (0.71) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL30436820 0.78 HSD17B10 (0.71) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL11077966 0.78 MTNR1A (0.62) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B

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