SCHEMBL3679899

SCHEMBL3679899

Cc1nccc(CO)c1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PDXK O00764 2/20 0.38
AOX1 Q06278 1/20 0.38
CYP2A6 P11509 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
MAOA P21397 2/20 0.36
CYP19A1 P11511 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL25652149 0.88 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL31214305 0.83 KDM4E (0.37) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL4795960 0.80 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL305502 0.80 NOS2 (0.45) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL31150926 0.80 NOS2 (0.45) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL2355840 0.78 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL23857355 0.77 KDM4E (0.37) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL9846997 0.77 NOS2 (0.38) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL21352029 0.77 KDM4E (0.37) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL31150936 0.77 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10LMNA

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
EP-2231604-A1 PREPARATIONS CONTAINING PYRIDOXINE AND ALPHA-HYDROXYISOCAPROIC ACID (HICA) Northern Innovations and Formulations Corp. (CA) 2010-09-29 EP disclosed
WO-2009073943-A1 PREPARATIONS CONTAINING PYRIDOXINE AND ALPHA-HYDROXYISOCAPROIC ACID (HICA) IOVATE T. & P. INC. (CA) 2009-06-18 WO disclosed