SCHEMBL28820216

SCHEMBL28820216

CC(=CCOCCC(C)C)CCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
KDM1A O60341 1/20 0.46
LSS P48449 3/20 0.40
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
SNCA P37840 1/20 0.35
PDE3A Q14432 1/20 0.35
PSEN1 P49768 1/20 0.34
FDFT1 P37268 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
SCHEMBL28020291 0.86 LSS (0.56) PTPN1KDM1ALSSPTPN2CDC25B
SCHEMBL2863883 0.86 PTPN1 (0.43) PTPN1KDM1ALSSPTPN2CDC25B
SCHEMBL2863882 0.86 PTPN1 (0.43) PTPN1KDM1ALSSPTPN2CDC25B
SCHEMBL28020298 0.85 LSS (0.58) PTPN1KDM1ALSSPTPN2CDC25B
SCHEMBL30711116 0.84 PTPN1 (0.71) PTPN1KDM1APTPN2CDC25BPTGS1
SCHEMBL7946561 0.84 PTPN1 (0.71) PTPN1KDM1APTPN2CDC25BPTGS1
SCHEMBL28279472 0.82 ALOX15 (0.50) FDFT1
SCHEMBL12134010 0.80 PTPN1 (0.66) PTPN1KDM1APTPN2CDC25BPTGS1
SCHEMBL2866506 0.80 TDP1 (0.40) PTPN1LSSTDP1
SCHEMBL2866508 0.80 TDP1 (0.40) PTPN1LSSTDP1

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
CN-104854073-A (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS BV 2015-08-19 CN disclosed