SCHEMBL1963789

SCHEMBL1963789

C=CCCCCO[C@H](COC(C)=O)C(O)CCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
PLA2G2C Q5R387 1/20 0.45
TSHR P16473 4/20 0.40
PRKCA P17252 1/20 0.39
ABCB1 P08183 1/20 0.37
PTPN1 P18031 2/20 0.36

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
SCHEMBL1962764 0.83 TSHR (0.46) USP2CYP3A4MAPTALDH1A1LMNA
SCHEMBL1964661 0.83 TSHR (0.46) USP2CYP3A4MAPTALDH1A1LMNA
SCHEMBL1962735 0.83 TSHR (0.46) USP2CYP3A4MAPTALDH1A1LMNA
SCHEMBL1962439 0.83 TSHR (0.46) USP2CYP3A4MAPTALDH1A1LMNA
SCHEMBL1965454 0.83 TSHR (0.46) USP2CYP3A4MAPTALDH1A1LMNA
SCHEMBL8746900 0.80 PLA2G2C (0.53) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL2232552 0.80 PLA2G2C (0.53) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL18006545 0.77 TDP1 (0.50) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL4434202 0.75 TSHR (0.46) USP2CYP3A4MAPTALDH1A1LMNA
SCHEMBL30010586 0.74 TSHR (0.67) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1

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-2010052718-A9 OXIDIZED LIPID COMPOUNDS AND USES THEREOF VASCULAR BIOGENICS LTD. (IL) 2011-06-16 WO disclosed