SCHEMBL7570629

SCHEMBL7570629

CC(C)Cc1cccc(C2OC(=O)C(O)=C2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
MAP1LC3A Q9H492 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8993559 0.84 LMNA (0.43) GABRA1GABRB2ALDH1A1CDK1CCNB1
SCHEMBL9015283 0.84 LMNA (0.43) GABRA1GABRB2ALDH1A1CDK1CCNB1
SCHEMBL7564062 0.71 KDM4E (0.55) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL3363408 0.71 KDM4E (0.55) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL4165394 0.67 GABRA1 (0.50) GABRA1GABRB2ALDH1A1MAP1LC3BMAP1LC3A
SCHEMBL8539519 0.67 GABRA1 (0.50) GABRA1GABRB2
SCHEMBL12676476 0.67 MAPT (0.50) GABRA1GABRB2ALDH1A1LMNATDP1
SCHEMBL647401 0.66 OPRM1 (0.54) GABRA1GABRB2LMNAMAPTKDM4E
SCHEMBL10160176 0.65 GAA (0.44) ALDH1A1LMNATDP1MAPT
Phosphoric Acid SCHEMBL29099239 0.65 GABRA1 (0.46) GABRA1GABRB2LMNAESR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP claimed
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP disclosed
EP-0746551-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-12-11 EP disclosed
US-5504108-A ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed