SCHEMBL7058992

SCHEMBL7058992

COC(=O)C(CCc1ccccc1Br)=NO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
CTBP2 P56545 2/20 0.38
RIPK1 Q13546 1/20 0.38
MAOB P27338 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL7058990 1.00 TAAR1 (0.42) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7061469 0.86 CYP4F2 (0.44) TAAR1ALDH1A1KMT2AMEN1FFAR4
SCHEMBL7061467 0.86 CYP4F2 (0.44) TAAR1ALDH1A1KMT2AMEN1FFAR4
SCHEMBL7057978 0.85 TAAR1 (0.36) TAAR1ALDH1A1FFAR4FFAR1CTBP2
SCHEMBL7057976 0.85 TAAR1 (0.36) TAAR1ALDH1A1FFAR4FFAR1CTBP2
SCHEMBL7061761 0.84 CTBP2 (0.53) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7060928 0.82 MTNR1A (0.52) TAAR1LMNAKMT2ARAB9ATSHR
SCHEMBL7061807 0.81 TAAR1 (0.47) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7061717 0.81 FFAR4 (0.43) ALDH1A1LMNAKMT2AFFAR4FFAR1
SCHEMBL7061719 0.81 FFAR4 (0.43) ALDH1A1LMNAKMT2AFFAR4FFAR1

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