SCHEMBL7635402

SCHEMBL7635402

Cc1cc(Br)c(OCCCC(=NO)C(=O)OCc2ccccc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
POLB P06746 1/20 0.47
THRA P10827 8/20 0.44
THRB P10828 8/20 0.44
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL7635396 1.00 MEN1 (0.47) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7641334 0.87 KDM4E (0.52) MEN1KMT2ANPY1RNPY2RKDM4E
SCHEMBL7641338 0.87 KDM4E (0.52) MEN1KMT2ANPY1RNPY2RKDM4E
SCHEMBL7641910 0.86 MEN1 (0.51) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7634879 0.85 APOBEC3A (0.46) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7634883 0.85 APOBEC3A (0.46) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7641682 0.81 KDM4E (0.46) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7641686 0.81 KDM4E (0.46) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7642342 0.80 TAAR1 (0.47) L3MBTL1TDP1MAPT
SCHEMBL7642006 0.78 L3MBTL1 (0.46) MEN1KMT2AKDM4EL3MBTL1ALDH1A1

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