SCHEMBL13619175

SCHEMBL13619175

CC(C)CCCC(C)(O)CCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
CDC25B P30305 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.32
GBA1 P04062 1/20 0.31
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5018789 1.00 PTPN1 (0.42) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL9403709 0.92 MEN1 (0.55) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL11668697 0.87 ALOX15 (0.47) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL8212898 0.87 MEN1 (0.47) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL8207766 0.81 ALDH1A1 (0.48) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL17872245 0.79 SMN1; SMN2 (0.38) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL995152 0.79 PTPN2 (0.41) PTPN1PTPN2CDC25BMEN1CYP3A4
Alcohol SCHEMBL5316245 0.79 MEN1 (0.41) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL996571 0.79 PTPN2 (0.41) PTPN1PTPN2CDC25BMEN1CYP3A4
SCHEMBL5201000 0.79 MEN1 (0.60) PTPN1PTPN2CDC25BMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137691-A2 1,3-DIOL SYNTHESIS VIA CONTROLLED, RADICAL-MEDIATED C-H FUNCTIONALIZATION THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-12 WO disclosed