SCHEMBL7058700

SCHEMBL7058700

COc1ccc(OC)c(CCC(=O)C(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
CAPN1 P07384 2/20 0.52
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL7061798 0.86 CAPN1 (0.48) MTNR1AMTNR1BCAPN1HSD17B10POLB
SCHEMBL7061799 0.86 CAPN1 (0.48) MTNR1AMTNR1BCAPN1HSD17B10POLB
SCHEMBL7061701 0.86 ABCB1 (0.50) MTNR1AMTNR1BPOLBL3MBTL1MEN1
SCHEMBL7061437 0.83 HSD17B10 (0.52) MTNR1AMTNR1BHSD17B10MEN1KMT2A
SCHEMBL7059127 0.82 PLAAT3 (0.61) L3MBTL1MEN1KMT2A
SCHEMBL7060135 0.82 MTNR1A (0.58) MTNR1AMTNR1BHSD17B10MEN1KMT2A
SCHEMBL7060334 0.81 KMT2A (0.58) MTNR1AMTNR1BL3MBTL1KMT2A
SCHEMBL30104113 0.80 HSD17B10 (0.62) MTNR1AMTNR1BHSD17B10POLBL3MBTL1
SCHEMBL20023024 0.79 APP (0.49) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL490819 0.79 ALOX5 (0.64) MTNR1AMTNR1BCAPN1HSD17B10POLB

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