Sugi Predict

Sugi Predict / Compounds / SCHEMBL5133064

SCHEMBL5133064

SCHEMBL5133064

COC1(OC)[C@H](OC(CC(=O)O)C(=O)O)[C@@H](CO)O[C@]1(n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TYMP P19971 3/20 0.31

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
SCHEMBL11051437 0.88 KDM4E (0.45) KDM4ETAS1R3TAS1R1
SCHEMBL27930721 0.83 KDM4E (0.45) KDM4ETAS1R3TAS1R1
SCHEMBL29834202 0.78 KDM4E (0.42) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL4607858 0.76 RNASE1 (0.35) TYMP
SCHEMBL14722199 0.74 KDM4E (0.40) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL30514383 0.73 KDM4E (0.42) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL3810729 0.73 HPGD (0.42) TAS1R3TAS1R1
SCHEMBL7155978 0.73 KDM4E (0.38) KDM4E
SCHEMBL29834213 0.72 KDM4E (0.41) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL30721730 0.71 KDM4E (0.35) KDM4E

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-20080125327-A1 Bonding amino moieties to solid surface with reactive hydroxyl groups, bonding succinate moieties to the amine groups through amide bonds to form cleavable linkers attached to the solid surface, bonding a succinate group, a sugar group and a base group, synthesizing oligonucleotides CUSTOMARRAY, INC. 2008-05-29 — — US disclosed