SCHEMBL7499332

SCHEMBL7499332

CCCCCCCCCO[C]OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 7/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 5/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
LPAR1 Q92633 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38

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
SCHEMBL3520024 0.83 ADRB2 (0.45) THRBTSHRCA1CA2
SCHEMBL3519444 0.83
SCHEMBL20658161 0.78 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL8940060 0.76
SCHEMBL25352928 0.74 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL20658209 0.74 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL21918937 0.74 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL21891898 0.74 THRB (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL2859626 0.74 LPAR3 (0.43) THRBTSHRMEN1HTTKMT2A
SCHEMBL77312 0.74 CA1 (0.43) THRBTSHRMEN1HTTKMT2A

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-1261731-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS Urtti, Arto (FI) 2002-12-04 EP disclosed
WO-2001062946-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS URTTI ARTO (FI) 2001-08-30 WO disclosed