SCHEMBL8917330

SCHEMBL8917330

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OC(=O)O[C@@H]5C[C@@H](CO)O[C@H]5n5cnc6c(NC(=O)OCCc7ccc([N+](=O)[O-])cc7)ncnc65)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.43
CYP46A1 Q9Y6A2 2/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
SLC29A1 Q99808 1/20 0.41
PLA2G2A P14555 1/20 0.41
OSBP P22059 3/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.39
RORC P51449 1/20 0.39
OSBP2 Q969R2 1/20 0.39
NPC1 O15118 1/20 0.39
NPC1L1 Q9UHC9 4/20 0.38
POLB P06746 1/20 0.37
NR1H3 Q13133 2/20 0.37

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
SCHEMBL8916895 0.90 POLA1 (0.39) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8912961 0.89 PLA2G2A (0.45) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8915847 0.87 PLA2G2A (0.41) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8913664 0.85 POLA1 (0.51) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8913660 0.80 POLA1 (0.50) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8914683 0.78 SLC29A1 (0.60) SLC29A1
SCHEMBL8916630 0.78 POLA1 (0.47) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8915436 0.76 PLA2G2A (0.49) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8914377 0.74 POLA1 (0.49) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL8915187 0.73 POLA1 (0.42) POLA1CYP46A1GBA1UGCGGBA2

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