SCHEMBL1962439

SCHEMBL1962439

C=CCCCCO[C@@H](CO)C(O)CCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MGAM O43451 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYP2D6 P10635 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1965454 1.00 TSHR (0.46) TSHRMGAMALDH1A1CNR1CNR2
SCHEMBL1962735 1.00 TSHR (0.46) TSHRMGAMALDH1A1CNR1CNR2
SCHEMBL1962764 1.00 TSHR (0.46) TSHRMGAMALDH1A1CNR1CNR2
SCHEMBL1964661 1.00 TSHR (0.46) TSHRMGAMALDH1A1CNR1CNR2
SCHEMBL8630707 0.88 CYP2D6 (0.52) MGAMALDH1A1CNR1CNR2CYP2D6
SCHEMBL4434202 0.86 TSHR (0.46) TSHRMGAMALDH1A1CNR1CNR2
SCHEMBL1963789 0.83 USP2 (0.55) TSHRALDH1A1LMNACYP3A4MAPT
SCHEMBL4431824 0.82 USP2 (0.49) MGAMCYP2D6SPHK1GMNNLMNA
SCHEMBL9306596 0.79 TSHR (0.67) TSHRALDH1A1CYP2D6SPHK1GMNN
SCHEMBL30010586 0.79 TSHR (0.67) TSHRALDH1A1CYP2D6SPHK1GMNN

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