SCHEMBL10041713

SCHEMBL10041713

COC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.69
PTPN2 P17706 1/20 0.48
CDC25B P30305 1/20 0.48
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45
SNCA P37840 1/20 0.45
PDE3A Q14432 1/20 0.45
KDM1A O60341 1/20 0.44
LMNA P02545 1/20 0.43
PSEN1 P49768 2/20 0.42
TRPV1 Q8NER1 1/20 0.39
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10738424 1.00 PTPN1 (0.69) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL30711116 0.88 PTPN1 (0.71) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL7946561 0.88 PTPN1 (0.71) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL31329262 0.85 PTPN1 (0.68) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL12134010 0.83 PTPN1 (0.66) PTPN1PTPN2CDC25BPTGS1PDE4A
Trans-Phytol SCHEMBL10738428 0.83 PTPN1 (0.90) PTPN1PTPN2CDC25BPTGS1PDE4A
Trans-Phytol SCHEMBL10738420 0.83 PTPN1 (0.90) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL215082 0.82 PTPN1 (1.00) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL10735415 0.82 PTPN1 (0.68) PTPN1PTPN2CDC25BPTGS1PDE4A
SCHEMBL215081 0.82 PTPN1 (1.00) PTPN1PTPN2CDC25BPTGS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013058758-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2013-04-25 WO disclosed
US-8088395-B2 Phytol derived immunoadjuvants and their use in vaccine formulations INDIANA STATE UNIVERSITY (US) 2012-01-03 US disclosed