Sugi Predict

Sugi Predict / Compounds / SCHEMBL9155236

SCHEMBL9155236

SCHEMBL9155236

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](O)[C@@H]1O.COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@H](O)[C@@H]1O.COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ P2RY6 Q15077 2/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ NT5E P21589 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL441420 0.88 TAS1R3 (0.44) TAS1R3TAS1R1TAAR1KDM4E
SCHEMBL439195 0.85 PRMT5 (0.45) PRMT5WDR77
SCHEMBL7523809 0.84 PRMT5 (0.45) PRMT5WDR77
SCHEMBL2114899 0.82 P2RY6 (0.49) P2RY6P2RY14NT5E
SCHEMBL2115345 0.81 TAS1R3 (0.52) TAS1R3TAS1R1TAAR1
SCHEMBL441421 0.81 TYMP (0.48) TAS1R3TAS1R1TAAR1KDM4E
SCHEMBL7523510 0.81 P2RY6 (0.49) P2RY6P2RY14NT5E
SCHEMBL2115365 0.79 PRMT5 (0.46) PRMT5WDR77
SCHEMBL30901148 0.77 ADORA2A (0.54) PRMT5WDR77
SCHEMBL439196 0.77 ADORA2A (0.54) PRMT5WDR77

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
EP-0633890-A1 SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS ZENECA LIMITED (GB) 1995-01-18 — — EP disclosed
WO-1993020091-A1 SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS ZENECA LIMITED (GB) 1993-10-14 — — WO disclosed