SCHEMBL1968402

SCHEMBL1968402

C=CCCCCCCCCCCCC(CC(C)(O)O)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
ABCC4 O15439 1/20 0.35
GLS2 Q9UI32 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G2C Q5R387 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
SCHEMBL4016772 0.86 USP2 (0.54) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31216702 0.81 MAPT (0.50) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31216708 0.81 MAPT (0.50) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11121672 0.80 USP2 (0.49) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL30722293 0.80 TSHR (0.52) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11041362 0.80 USP2 (0.49) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11124230 0.80 USP2 (0.49) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2152008 0.77 USP2 (0.46) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1970909 0.75 USP2 (0.55) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
Acetic Acid SCHEMBL28958215 0.75 TSHR (0.46) USP2MAPTALDH1A1CYP3A4SMN1; SMN2

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
EP-2334293-A2 COMPOSITIONS COMPRISING POLYHYDROXYLTATE FATTY ALCOHOL DERIVATIVES AND THE THERAPEUTIC USES Meretzki, Shai (IL) 2011-06-22 EP claimed
WO-2010026596-A2 COMPOSITIONS COMPRISING POLYHYDROXYLTATE FATTY ALCOHOL DERIVATIVES AND THE THERAPEUTIC USES MERETZKI SHAI (IL) 2010-03-11 WO claimed