SCHEMBL7642006

SCHEMBL7642006

Cc1ccc(OCCCCC(=NO)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
PPARA Q07869 2/20 0.44
FFAR1 O14842 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43

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
SCHEMBL7637073 0.91 HDAC1 (0.47) RAB9APPARAFFAR1HTTHDAC1
SCHEMBL7639876 0.90 HDAC1 (0.49) PPARAFFAR1HDAC3HDAC4HDAC1
SCHEMBL7635842 0.90 HDAC1 (0.49) PPARAFFAR1HDAC3HDAC4HDAC1
SCHEMBL7642342 0.87 TAAR1 (0.47) L3MBTL1RAB9AFFAR1HTTMAPT
SCHEMBL7635789 0.87 KDM4E (0.52) L3MBTL1MEN1KMT2AKDM4EPPARA
SCHEMBL7638373 0.86 GAA (0.49) MEN1KMT2AGAAKDM4ERAB9A
SCHEMBL7638376 0.86 GAA (0.49) MEN1KMT2AGAAKDM4ERAB9A
SCHEMBL7640527 0.85 TSHR (0.54) L3MBTL1MEN1KMT2AKDM4EPPARA
SCHEMBL7640522 0.85 TSHR (0.54) L3MBTL1MEN1KMT2AKDM4EPPARA
SCHEMBL7636427 0.85 HDAC3 (0.55) L3MBTL1MEN1KMT2AGAAKDM4E

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