SCHEMBL7643114

SCHEMBL7643114

CC(C)CCCCCC(=NO)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
DEGS1 O15121 1/20 0.34
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
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7637349 0.98 LMNA (0.37) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL7642991 0.93 APOBEC3A (0.36) LMNAAPOBEC3AAPOBEC3GBLMTSHR
SCHEMBL7636885 0.86 CA1 (0.39) LMNAAPOBEC3AAPOBEC3GTSHRCA1
SCHEMBL7641194 0.85 LMNA (0.58) LMNAMEN1TSHRKMT2A
SCHEMBL7642192 0.85 LMNA (0.58) LMNAMEN1TSHRKMT2A
SCHEMBL7641298 0.85 KDM4C (0.41) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL7643160 0.85 LMNA (0.58) LMNAMEN1TSHRKMT2A
SCHEMBL7635622 0.83 LMNA (0.43) LMNAAPOBEC3AAPOBEC3G
SCHEMBL7635621 0.83 LMNA (0.43) LMNAAPOBEC3AAPOBEC3G
SCHEMBL7635741 0.83 LMNA (0.40) LMNAAPOBEC3AAPOBEC3G

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