SCHEMBL7635254

SCHEMBL7635254

CC(C)OC(=O)C(=O)Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL8737269 0.84 FNTA (0.52) TSHRPOLB
SCHEMBL7643109 0.84 TSHR (0.47) LMNATSHRKMT2AALDH1A1POLB
SCHEMBL7636054 0.84 HPGD (0.47) TSHRKMT2AALDH1A1L3MBTL1EGFR
SCHEMBL7634039 0.83 TSHR (0.46) LMNATSHRKMT2AALDH1A1KDM4E
SCHEMBL7640142 0.83 LMNA (0.48) LMNATSHRKMT2AALDH1A1KDM4E
SCHEMBL7641964 0.83 KMT2A (0.46) TSHRKMT2AALDH1A1L3MBTL1EGFR
SCHEMBL7642338 0.82 TSHR (0.68) TSHRALDH1A1L3MBTL1POLBGAA
SCHEMBL7639014 0.81 HTT (0.53) ALDH1A1L3MBTL1POLBTDP1
SCHEMBL7638546 0.81 TSHR (0.45) TSHREGFRERBB2
SCHEMBL7633403 0.80 L3MBTL1 (0.54) LMNAKMT2AALDH1A1KDM4EGLA

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