SCHEMBL8913660

SCHEMBL8913660

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OC(=O)CCC(=O)O[C@@H]5C[C@@H](CO)O[C@H]5n5cnc6c(N)ncnc65)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.50
CYP46A1 Q9Y6A2 2/20 0.49
PLA2G2A P14555 1/20 0.47
NPC1 O15118 1/20 0.46
GBA1 P04062 2/20 0.46
UGCG Q16739 2/20 0.46
GBA2 Q9HCG7 2/20 0.46
USP2 O75604 2/20 0.45
OSBP P22059 2/20 0.45
LMNA P02545 1/20 0.45
ABCB1 P08183 1/20 0.45
RORC P51449 1/20 0.45
OSBP2 Q969R2 1/20 0.45
NPC1L1 Q9UHC9 4/20 0.43
NR1H3 Q13133 3/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8913664 0.94 POLA1 (0.51) POLA1CYP46A1PLA2G2ANPC1GBA1
SCHEMBL8915436 0.94 PLA2G2A (0.49) POLA1CYP46A1PLA2G2ANPC1GBA1
SCHEMBL8916630 0.91 POLA1 (0.47) POLA1CYP46A1NPC1GBA1UGCG
SCHEMBL8914377 0.90 POLA1 (0.49) POLA1CYP46A1PLA2G2ANPC1GBA1
SCHEMBL8914667 0.87 PLA2G2A (0.50) POLA1CYP46A1PLA2G2ANPC1GBA1
SCHEMBL8915187 0.85 POLA1 (0.42) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL8915147 0.85 PLA2G2A (0.39) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL8917330 0.80 POLA1 (0.43) POLA1CYP46A1PLA2G2ANPC1GBA1
SCHEMBL8174993 0.79 CYP46A1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL330612 0.79 POLA1 (0.77) POLA1CYP46A1PLA2G2ANPC1USP2

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
US-5643889-A Cholesterol conjugates of 2'5'-oligoadenylate derivatives and antiviral uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF PENNSYLVANIA (US) 1997-07-01 US disclosed