SCHEMBL8775369

SCHEMBL8775369

CCCCCC[C@H]1OC(=O)C(O)=C1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
ABHD16A O95870 1/20 0.48
PTPN1 P18031 4/20 0.48
MAPT P10636 3/20 0.48
ACP1 P24666 3/20 0.48
CDC25B P30305 3/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PTPN2 P17706 1/20 0.48
DUSP3 P51452 1/20 0.48
HPSE Q9Y251 1/20 0.48
HSPD1 P10809 1/20 0.45
HSPE1 P61604 1/20 0.45
TST Q16762 1/20 0.45
BLM P54132 1/20 0.45
POLB P06746 1/20 0.42
FASN P49327 1/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6934073 1.00 CES2 (0.54) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775172 1.00 CES2 (0.54) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775076 1.00 CES2 (0.54) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775161 1.00 CES2 (0.54) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8116635 0.98 CES2 (0.51) CES2ABHD16APTPN1MAPTACP1
SCHEMBL6927981 0.85 MAPT (0.44) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775268 0.84 ABHD16A (0.45) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775675 0.84 ABHD16A (0.45) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775255 0.84 ABHD16A (0.45) CES2ABHD16APTPN1MAPTACP1
SCHEMBL8775261 0.84 ABHD16A (0.45) CES2ABHD16APTPN1MAPTACP1

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