SCHEMBL8914667

SCHEMBL8914667

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OC(=O)CCC(=O)OC[C@@H]5C[C@@H](OP(=O)(O)OC[C@@H]6C[C@@H](OP(=O)(O)OC[C@@H]7C[C@@H](O)[C@H](n8cnc9c(N)ncnc98)O7)[C@H](n7cnc8c(N)ncnc87)O6)[C@H](n6cnc7c(N)ncnc76)O5)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.50
POLA1 P09884 1/20 0.44
CYP46A1 Q9Y6A2 2/20 0.43
USP2 O75604 2/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 1/20 0.41
OSBP P22059 1/20 0.41
RORC P51449 1/20 0.41
OSBP2 Q969R2 1/20 0.41
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
NPC1 O15118 1/20 0.39
NPC1L1 Q9UHC9 4/20 0.39
NR1H3 Q13133 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
SCHEMBL8914377 0.94 POLA1 (0.49) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8915436 0.93 PLA2G2A (0.49) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8913660 0.87 POLA1 (0.50) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8915187 0.85 POLA1 (0.42) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8915147 0.84 PLA2G2A (0.39) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8913664 0.83 POLA1 (0.51) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8912961 0.81 PLA2G2A (0.45) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8174993 0.80 CYP46A1 (0.50) PLA2G2APOLA1CYP46A1USP2LMNA
SCHEMBL8916630 0.79 POLA1 (0.47) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL8174627 0.74 OSBP (0.47) POLA1CYP46A1USP2LMNAABCB1

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