SCHEMBL8775124

SCHEMBL8775124

CCCCCCCCCCCCCCC=CCC[C@@H]1OC(=O)C(OCc2ccccc2)=C1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.48
EPHX2 P34913 4/20 0.43
FAAH O00519 2/20 0.43
PPARA Q07869 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
DUSP3 P51452 1/20 0.41
MAOB P27338 1/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LPAR1 Q92633 3/20 0.40
LPAR3 Q9UBY5 2/20 0.40
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39

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
SCHEMBL8775118 1.00 HPSE (0.48) HPSEEPHX2FAAHPPARACNR1
SCHEMBL8775207 1.00 HPSE (0.48) HPSEEPHX2FAAHPPARACNR1
SCHEMBL8775197 1.00 HPSE (0.48) HPSEEPHX2FAAHPPARACNR1
SCHEMBL8775107 1.00 HPSE (0.48) HPSEEPHX2FAAHPPARACNR1
SCHEMBL8775211 0.88 HPSE (0.54) HPSECDC25ACDC25BDUSP3MAOB
SCHEMBL8775421 0.88 HPSE (0.54) HPSECDC25ACDC25BDUSP3MAOB
SCHEMBL8775103 0.88 HPSE (0.54) HPSECDC25ACDC25BDUSP3MAOB
SCHEMBL8775150 0.80 ABHD16A (0.39) HPSEEPHX2CDC25ACDC25BDUSP3
SCHEMBL8775588 0.80 ABHD16A (0.39) HPSEEPHX2CDC25ACDC25BDUSP3
SCHEMBL8775142 0.80 ABHD16A (0.39) HPSEEPHX2CDC25ACDC25BDUSP3

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