SCHEMBL1963390

SCHEMBL1963390

CCC=CCCO[C@@H](CO)C(O)CCCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
LMNA P02545 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL8630707 0.82 CYP2D6 (0.52) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL8667396 0.78 PTPN1 (0.48) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1965454 0.78 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL4434202 0.78 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1962764 0.78 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1962735 0.78 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1964661 0.78 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1962439 0.78 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL4431824 0.77 USP2 (0.49) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1735177 0.75 ALDH1A1 (0.55) CYP2D6SPHK1LMNAGMNNPOLB

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-2348866-A1 OXIDIZED LIPID COMPOUNDS AND USES THEREOF Vascular Biogenics Ltd. (IL) 2011-08-03 EP disclosed
WO-2010052718-A9 OXIDIZED LIPID COMPOUNDS AND USES THEREOF VASCULAR BIOGENICS LTD. (IL) 2011-06-16 WO disclosed
WO-2010052718-A1 OXIDIZED LIPID COMPOUNDS AND USES THEREOF VASCULAR BIOGENICS LTD. (IL) 2010-05-14 WO disclosed