SCHEMBL8775455

SCHEMBL8775455

CCCCCC[C@H]1OC(C)(C)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.44
CDC25B P30305 5/20 0.44
ACP1 P24666 4/20 0.44
PRKCA P17252 4/20 0.39
DAGLA Q9Y4D2 1/20 0.39
CYP1A2 P05177 2/20 0.39
CES2 O00748 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GLS O94925 1/20 0.37
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
ABHD16A O95870 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
SCHEMBL8775465 1.00 PTPN1 (0.44) PTPN1CDC25BACP1PRKCADAGLA
SCHEMBL8775616 1.00 PTPN1 (0.44) PTPN1CDC25BACP1PRKCADAGLA
SCHEMBL11191261 0.80 PPARG (0.42) PTPN1CDC25BACP1GLS
SCHEMBL25185948 0.79 PTPN1 (0.49) PTPN1CDC25BACP1PRKCADAGLA
SCHEMBL19296722 0.79 DAGLA (0.45) PTPN1CDC25BACP1DAGLAGLS
SCHEMBL20380805 0.79 DAGLA (0.45) PTPN1CDC25BACP1DAGLAGLS
SCHEMBL264858 0.78 GLS (0.38) GLS
SCHEMBL21726164 0.78 GLS (0.38) GLS
SCHEMBL3581987 0.77 TDP1 (0.41) PTPN1CDC25BACP1GLS
SCHEMBL6385190 0.77 PTPN1 (0.46) PTPN1CDC25BACP1PRKCADAGLA

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 3 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-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