SCHEMBL7961312

SCHEMBL7961312

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 1/20 0.45
▸ TYMP P19971 9/20 0.44
▸ HRAS P01112 1/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ EIF4E P06730 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 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
SCHEMBL8618793 0.94 TYMP (0.47) GAPDHTYMPHRASLMNASMN1; SMN2
SCHEMBL7961309 0.89 CA1 (0.38) GAPDHTYMPHRASCA1CA2
SCHEMBL13130114 0.85 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL7974829 0.85 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130110 0.85 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130121 0.85 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130125 0.85 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL12300349 0.85 LMNA (0.47) GAPDHHRASCA1CA2CA9
SCHEMBL6912407 0.81 LMNA (0.47) GAPDHHRASCA1CA2CA9
SCHEMBL12300734 0.81 LMNA (0.48) GAPDHHRASCA1CA2CA9

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-6281201-B1 REPLACEMENT OF THE ADENINE MOIETY IN THE (2'-5')OLIGOADENYLATE TRIMER CORE WITH 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE OR WITH N6-(BENZYLAMINO)PURINE (ADEBN)-MOIETIES HAS RESULTED IN A NEW GROUP OF INHIBITORS OF HIV-1 REPLICATION. TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2001-08-28 — — US disclosed
WO-1998056385-A1 BASE-MODIFIED DERIVATIVES OF 2',5'-OLIGOADENYLATE AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-12-17 — — WO disclosed
Send feedback