SCHEMBL7056868

SCHEMBL7056868

CC(=O)C(CCc1ccc2ccccc2c1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.38
NCEH1 Q6PIU2 1/20 0.38
TACR1 P25103 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 2/20 0.35
MEN1 O00255 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
SCHEMBL7056335 0.87 KMT2A (0.42) ALDH1A1LMNANCEH1KMT2ASMN1; SMN2
SCHEMBL7060361 0.86 NCEH1 (0.40) ELANEALDH1A1LMNANCEH1TACR1
SCHEMBL7059747 0.86 KMT2A (0.47) ALDH1A1TACR1KMT2AKDM4EHPGD
SCHEMBL7060992 0.86 NCEH1 (0.44) LMNANCEH1KMT2ASMN1; SMN2MEN1
SCHEMBL7059752 0.84 LMNA (0.40) ALDH1A1LMNANCEH1KMT2ASMN1; SMN2
SCHEMBL7061340 0.83 NCEH1 (0.42) ELANEALDH1A1LMNANCEH1TACR1
SCHEMBL7059676 0.79 ALDH1A1 (0.56) ELANEALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7055441 0.77 TACR1 (0.46) ELANEALDH1A1LMNATACR1SMN1; SMN2
SCHEMBL7059056 0.77 PPARA (0.49) ELANEALDH1A1LMNAKMT2AKDM4E
SCHEMBL7060354 0.77 ALDH1A1 (0.47) ELANEALDH1A1TACR1KMT2ASMN1; SMN2

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