SCHEMBL8775269

SCHEMBL8775269

O=C1O[C@H](Cc2ccccc2)C(O)=C1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CTRB1 P17538 1/20 0.41
FASN P49327 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STK17B O94768 1/20 0.39
GRM2 Q14416 1/20 0.38
ADORA2A P29274 2/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
CES2 O00748 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
DUSP3 P51452 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL8775595 1.00 KDM4E (0.44) KDM4ECTRB1FASNSMN1; SMN2STK17B
SCHEMBL8775275 1.00 KDM4E (0.44) KDM4ECTRB1FASNSMN1; SMN2STK17B
SCHEMBL16431606 0.81 KDM4E (0.63) KDM4ECTRB1FASNSTK17BGRM2
SCHEMBL8775300 0.78 HPSE (0.43) LMNAL3MBTL1
SCHEMBL8775462 0.78 HPSE (0.43) LMNAL3MBTL1
SCHEMBL8775237 0.78 HPSE (0.43) LMNAL3MBTL1
SCHEMBL7986994 0.78 PLA2G6 (0.47) KDM4EFASNSMN1; SMN2CYP19A1MAPT
SCHEMBL4663227 0.78 CDC25B (0.43) KDM4ECTRB1SMN1; SMN2ADORA2AMAPT
SCHEMBL7973128 0.77 MAOB (0.46) KDM4ESMN1; SMN2GRM2MAPTLMNA
SCHEMBL7629569 0.76 CTRB1 (0.53) CTRB1FASNGRM2F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804430-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-11-05 EP disclosed
US-5656662-A TREATING OR PREVENTING ATHEROSCLEROTIC DISORDERS, INHIBITING INFLAMMATORY CYTOKINES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-08-12 US disclosed
US-5504107-A ANTICOAGULANTS, PREVENTING ATHEROSCLEROSIS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995032194-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-11-30 WO disclosed