SCHEMBL5607592

SCHEMBL5607592

C=CCCCCCCCCC(O)COCC(O)CCCCCCCCC=C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
TSHR P16473 2/20 0.38
ABCC4 O15439 1/20 0.38
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PLA2G2C Q5R387 1/20 0.33
TRPA1 O75762 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL5607135 1.00 USP2 (0.54) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5606849 1.00 USP2 (0.54) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5606673 1.00 USP2 (0.54) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5607254 1.00 USP2 (0.54) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5607149 0.98 USP2 (0.51) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1674780 0.91 USP2 (0.45) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6150799 0.84 USP2 (0.46) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL15027430 0.84 USP2 (0.53) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4012822 0.84 USP2 (0.53) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL517696 0.84 USP2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626999-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEM PATENTS INC (US) 2007-09-26 EP claimed