SCHEMBL8915147

SCHEMBL8915147

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CCC(C(=O)CCC(=O)O[C@@H]5C[C@@H](COP(=O)(O)O[C@@H]6C[C@@H](COP(=O)(O)O[C@@H]7C[C@@H](CO)O[C@H]7n7cnc8c(N)ncnc87)O[C@H]6n6cnc7c(N)ncnc76)O[C@H]5n5cnc6c(N)ncnc65)C[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
POLA1 P09884 1/20 0.38
USP2 O75604 2/20 0.37
CYP46A1 Q9Y6A2 2/20 0.36
LMNA P02545 1/20 0.36
ABCB1 P08183 1/20 0.36
OSBP P22059 1/20 0.36
RORC P51449 1/20 0.36
OSBP2 Q969R2 1/20 0.36
SRD5A1 P18405 3/20 0.36
NPC1L1 Q9UHC9 2/20 0.34
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NR1H3 Q13133 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
SCHEMBL8915436 0.91 PLA2G2A (0.49) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8915187 0.88 POLA1 (0.42) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8913660 0.85 POLA1 (0.50) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8914667 0.84 PLA2G2A (0.50) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8916630 0.82 POLA1 (0.47) POLA1USP2CYP46A1LMNAABCB1
SCHEMBL8913664 0.81 POLA1 (0.51) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8914377 0.76 POLA1 (0.49) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8174993 0.73 CYP46A1 (0.50) PLA2G2APOLA1USP2CYP46A1LMNA
SCHEMBL8174627 0.71 OSBP (0.47) POLA1USP2CYP46A1LMNAABCB1
SCHEMBL8917330 0.69 POLA1 (0.43) PLA2G2APOLA1USP2CYP46A1LMNA

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 claimed