SCHEMBL8916895

SCHEMBL8916895

COc1ccc(C(OC[C@@H]2C[C@@H](OC(=O)OC3CC[C@@]4(C)C(=CCC5C4CC[C@@]4(C)C5CC[C@@H]4[C@H](C)CCCC(C)C)C3)[C@H](n3cnc4c(NC(=O)OCCc5ccc([N+](=O)[O-])cc5)ncnc43)O2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.39
PLA2G2A P14555 1/20 0.38
CYP46A1 Q9Y6A2 2/20 0.37
NPC1L1 Q9UHC9 4/20 0.35
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ABCB1 P08183 1/20 0.34
OSBP P22059 1/20 0.34
RORC P51449 1/20 0.34
OSBP2 Q969R2 1/20 0.34
EPHA2 P29317 3/20 0.34
NR1H3 Q13133 1/20 0.34
CDC25A P30304 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
SCHEMBL8915622 0.96 PLA2G2A (0.40) POLA1PLA2G2ACYP46A1NPC1L1GBA1
SCHEMBL8917330 0.90 POLA1 (0.43) POLA1PLA2G2ACYP46A1NPC1L1GBA1
SCHEMBL8912961 0.84 PLA2G2A (0.45) POLA1PLA2G2ACYP46A1NPC1L1GBA1
SCHEMBL8915847 0.82 PLA2G2A (0.41) POLA1PLA2G2ACYP46A1NPC1L1GBA1
SCHEMBL7619002 0.78 SLC29A1 (0.52)
SCHEMBL7615989 0.78 SLC29A1 (0.52)
SCHEMBL8914132 0.77 SLC29A1 (0.43)
SCHEMBL8913664 0.76 POLA1 (0.51) POLA1PLA2G2ACYP46A1NPC1L1GBA1
SCHEMBL8912999 0.76 SLC29A1 (0.40)
SCHEMBL7710522 0.76 SLC29A1 (0.40)

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