SCHEMBL7640941

SCHEMBL7640941

COC(=O)C(CCC(c1ccccc1)c1ccccc1)=NO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
KMT2A Q03164 2/20 0.42
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
MEN1 O00255 1/20 0.42
CASR P41180 3/20 0.41
EPHX2 P34913 2/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL7640939 1.00 MTNR1A (0.45) MTNR1AMTNR1BKMT2ACNR1CNR2
SCHEMBL7638399 0.88 HPGD (0.41) MTNR1AMTNR1BKMT2AMEN1HPGD
SCHEMBL7634897 0.87 KMT2A (0.39) MTNR1AMTNR1BKMT2AMEN1HPGD
SCHEMBL7634901 0.87 KMT2A (0.39) MTNR1AMTNR1BKMT2AMEN1HPGD
SCHEMBL7636532 0.85 APOBEC3A (0.47) MTNR1AMTNR1BKMT2AMEN1CASR
SCHEMBL7636528 0.85 APOBEC3A (0.47) MTNR1AMTNR1BKMT2AMEN1CASR
SCHEMBL7640886 0.85 TSHR (0.41) MTNR1AMTNR1BKMT2ACNR1CNR2
SCHEMBL7640889 0.85 TSHR (0.41) MTNR1AMTNR1BKMT2ACNR1CNR2
SCHEMBL7639035 0.83 KMT2A (0.36) MTNR1AMTNR1BKMT2ACASRHPGD
SCHEMBL7641675 0.81 ALDH1A1 (0.42) KMT2ACNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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