SCHEMBL9017162

SCHEMBL9017162

C=CC(C)(CC/C=C(\C)CCCC(C)CCCC(C)C)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
SNCA P37840 1/20 0.38
PDE3A Q14432 1/20 0.38
PSEN1 P49768 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL9017168 1.00 PTPN1 (0.54) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL8156416 0.80 MEN1 (0.45) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL23747110 0.80 ALOX15 (0.68) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL27414793 0.80 ALOX15 (0.68) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL9709450 0.79 MEN1 (0.48) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL16461955 0.78 ALOX15 (0.42) ALOX15
SCHEMBL16461953 0.78 ALOX15 (0.42) ALOX15
SCHEMBL9017160 0.77 ALOX15 (0.59) ALOX15MEN1CYP3A4KMT2A
SCHEMBL22372389 0.77 ALOX15 (0.59) ALOX15MEN1CYP3A4KMT2A
SCHEMBL22372388 0.77 ALOX15 (0.59) ALOX15MEN1CYP3A4KMT2A

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-0414106-B1 Process for the preparation of terpenes EISAI CO LTD (JP) 1996-03-27 EP disclosed
US-5073659-A Alkylation, Grignard reagent, zinc chloride catalyst and coppe r compound EISAI CO., LTD. (JP) 1991-12-17 US disclosed
EP-0414106-A2 Process for the preparation of terpenes Eisai Co., Ltd. (JP) 1991-02-27 EP disclosed