SCHEMBL7060928

SCHEMBL7060928

COC(=O)C(CCc1ccccc1OC)=NO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 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
SCHEMBL7058695 0.87 KMT2A (0.47) MTNR1AMTNR1BLMNASMN1; SMN2NPC1
SCHEMBL7056454 0.86 MTNR1A (0.45) MTNR1AMTNR1BLMNASMN1; SMN2NPC1
SCHEMBL7062619 0.84 ABCB1 (0.46) MTNR1AMTNR1BLMNASMN1; SMN2NPC1
SCHEMBL7061761 0.84 CTBP2 (0.53) LMNATSHRHTTKMT2ATAAR1
SCHEMBL7058990 0.82 TAAR1 (0.42) LMNARAB9ATSHRKMT2ATAAR1
SCHEMBL7058992 0.82 TAAR1 (0.42) LMNARAB9ATSHRKMT2ATAAR1
SCHEMBL7061393 0.82 MTNR1A (0.53) MTNR1AMTNR1BRAB9AKMT2ATAAR1
SCHEMBL7061395 0.82 MTNR1A (0.53) MTNR1AMTNR1BRAB9AKMT2ATAAR1
SCHEMBL7060616 0.81 MTNR1A (0.58) MTNR1AMTNR1BLMNASMN1; SMN2NPC1
SCHEMBL7060227 0.80 MTNR1A (0.48) MTNR1A

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