SCHEMBL9752472

SCHEMBL9752472

C=CCCCCOC(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.47
LPAR2 Q9HBW0 1/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL7034812 0.98 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL28629366 0.98 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL23748835 0.98 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL28559439 0.98 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL9409656 0.98 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL867712 0.93
SCHEMBL823794 0.87 LPAR3 (0.44) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL347510 0.84
SCHEMBL5914608 0.82 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL336619 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRATMHCAR2

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-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed