SCHEMBL7710522

SCHEMBL7710522

CCCCCCCCCCCCCC(=O)NCCCCCC(=O)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(NC(=O)OCCc3ccc([N+](=O)[O-])cc3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.40
P2RY12 Q9H244 3/20 0.37
TYMP P19971 1/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8591327 0.88 SLC29A1 (0.49) SLC29A1P2RY12
SCHEMBL7619002 0.85 SLC29A1 (0.52) SLC29A1TYMPADORA3ADORA2AADORA2B
SCHEMBL7615989 0.85 SLC29A1 (0.52) SLC29A1TYMPADORA3ADORA2AADORA2B
SCHEMBL8914132 0.85 SLC29A1 (0.43) SLC29A1TYMPADORA2AADORA2B
SCHEMBL8912999 0.81 SLC29A1 (0.40) SLC29A1TYMPADORA2AADORA2B
SCHEMBL8589625 0.79 SLC29A1 (0.47) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8915622 0.78 PLA2G2A (0.40)
SCHEMBL8916895 0.76 POLA1 (0.39)
SCHEMBL7756536 0.75 TYMP (0.46) SLC29A1TYMP
SCHEMBL8914683 0.73 SLC29A1 (0.60) SLC29A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362171-B1 Aminoaklanoyl-linked conjugates of 2′,5′-oligoadenylate and antiviral uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-03-26 US disclosed
WO-1998056384-A1 AMINOAKLANOYL-LINKED CONJUGATES OF 2',5'-OLIGOADENYLATE AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-12-17 WO disclosed