SCHEMBL8775431

SCHEMBL8775431

C=CCOC1=C(O)[C@@H](CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
PPARG P37231 3/20 0.36
FFAR1 O14842 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
CYP19A1 P11511 1/20 0.36
FABP4 P15090 1/20 0.36
ALOX15 P16050 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
SCHEMBL8775254 1.00 TRPV1 (0.38) TRPV1PPARGFFAR1PPARDPPARA
SCHEMBL8775271 0.95 ABHD16A (0.39) PPARGALDH1A1MAPTRECQLTDP1
SCHEMBL8775588 0.95 ABHD16A (0.39) PPARGALDH1A1MAPTRECQLTDP1
SCHEMBL8775150 0.95 ABHD16A (0.39) PPARGALDH1A1MAPTRECQLTDP1
SCHEMBL8775130 0.95 ABHD16A (0.39) PPARGALDH1A1MAPTRECQLTDP1
SCHEMBL8775142 0.95 ABHD16A (0.39) PPARGALDH1A1MAPTRECQLTDP1
SCHEMBL8775295 0.81 TRPV1 (0.45) TRPV1PPARGFFAR1PPARDPPARA
SCHEMBL8775359 0.81 TRPV1 (0.45) TRPV1PPARGFFAR1PPARDPPARA
SCHEMBL6933381 0.81 TRPV1 (0.45) TRPV1PPARGFFAR1PPARDPPARA
SCHEMBL6933386 0.81 TRPV1 (0.45) TRPV1PPARGFFAR1PPARDPPARA

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