SCHEMBL7643138

SCHEMBL7643138

CC(C)CCCCCC(=O)C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
CA1 P00915 2/20 0.39
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
FAAH O00519 2/20 0.34
DEGS1 O15121 1/20 0.34
TSHR P16473 2/20 0.33
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL7640282 0.98 LMNA (0.41) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL7641001 0.92 CA1 (0.41) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL7634812 0.84 CA1 (0.50) LMNACA1TSHR
SCHEMBL7641253 0.82 KDM4C (0.46) KDM4CKDM4APHF8KDM2ACA1
SCHEMBL7639959 0.82 LMNA (0.66) LMNACES2CES1FAAHTSHR
SCHEMBL7640027 0.82 LMNA (0.66) LMNACES2CES1FAAHTSHR
SCHEMBL1089391 0.82 LMNA (0.66) LMNACES2CES1FAAHTSHR
SCHEMBL7644750 0.81 LMNA (0.44) LMNACES2CES1FAAHTSHR
SCHEMBL7644714 0.81 LMNA (0.48) LMNACES2CES1FAAHTSHR
SCHEMBL23628387 0.80 LMNA (0.68) LMNAKDM4CKDM4APHF8KDM2A

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