SCHEMBL9718337

SCHEMBL9718337

C#C[C@](C)(CCC1=C(C)C(=O)C(C)=C(C)C1=O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.42
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
GAA P10253 1/20 0.32

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
SCHEMBL9718201 1.00 ALOX15 (0.42) ALOX15PTPN2PTPN1CDC25BGAA
SCHEMBL9718197 1.00 ALOX15 (0.42) ALOX15PTPN2PTPN1CDC25BGAA
SCHEMBL9718189 0.75 ALOX15 (0.51) ALOX15PTPN2PTPN1CDC25B
SCHEMBL9718129 0.75 ALOX15 (0.51) ALOX15PTPN2PTPN1CDC25B
SCHEMBL9718132 0.75 ALOX15 (0.51) ALOX15PTPN2PTPN1CDC25B
SCHEMBL21032650 0.70 ALOX15 (0.53) ALOX15PTPN2PTPN1CDC25B
SCHEMBL7554702 0.69 ALOX15 (0.58) ALOX15PTPN2PTPN1CDC25B
SCHEMBL1772249 0.69 GAA (0.41) GAA
SCHEMBL3358127 0.68 ALOX15 (0.54) ALOX15PTPN2PTPN1CDC25B
SCHEMBL10406282 0.68 ALOX15 (0.54) ALOX15PTPN2PTPN1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320777-B1 A NOVEL APPROACH TO PRODUCE NATURAL VITAMIN E MAKING USE OF AN ASYMMETRIC SYNTHESIS F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed
US-4913851-A Asymmetric synthesis of natural vitamin E. HOFFMANN-LA ROCHE INC. (US) 1990-04-03 US disclosed
US-4914217-A Asymmetric synthesis of natural vitamin E HOFFMANN-LA ROCHE INC. (US) 1990-04-03 US disclosed
US-4900476-A Quinone intermediates for asymmetric synthesis of natural vitamin E HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US disclosed
US-4898953-A Natural Vitamin E intermediate HOFFMANN-LA ROCHE INC. (US) 1990-02-06 US disclosed
US-4898962-A Natural vitamin E intermediate HOFFMANN-LA ROCHE INC. (US) 1990-02-06 US disclosed
US-4855085-A Asymmetric synthesis of natural vitamin E HOFFMANN-LA ROCHE INC. (US) 1989-08-08 US disclosed
EP-0320777-A2 A novel approach to produce natural vitamin E making use of an asymmetric synthesis F. HOFFMANN-LA ROCHE AG (CH) 1989-06-21 EP disclosed
US-4831185-A Asymmetric synthesis of natural vitamin E HOFFMANN-LA ROCHE INC. (US) 1989-05-16 US disclosed