SCHEMBL16915306

SCHEMBL16915306

N[C@@H](Cc1ccc(O)cc1)C(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ EPHX2 P34913 4/20 0.46
▸ LDHA P00338 1/20 0.44
▸ TYR P14679 1/20 0.39
▸ SLC5A1 P13866 4/20 0.38
▸ SLC5A2 P31639 2/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC28A2 O43868 1/20 0.37

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
SCHEMBL27473604 0.92 CDK1 (0.55) CDK1CCNB1EPHX2LDHAADORA1
Sucrose SCHEMBL16915304 0.90 CDK1 (0.54) CDK1CCNB1EPHX2LDHATYR
SCHEMBL8734449 0.83 CDK1 (0.60) CDK1CCNB1EPHX2LDHAADORA1
SCHEMBL27387635 0.83 EPHX2 (0.61) CDK1CCNB1EPHX2LDHATYR
SCHEMBL3568637 0.83 CDK1 (0.60) CDK1CCNB1EPHX2LDHAADORA1
SCHEMBL28151557 0.82 CDK1 (0.59) CDK1CCNB1EPHX2LDHAADORA1
SCHEMBL28359902 0.81 CDK1 (0.64) CDK1CCNB1EPHX2LDHAADORA1
SCHEMBL9298841 0.81 CDK1 (0.64) CDK1CCNB1EPHX2LDHAADORA1
SCHEMBL27633793 0.81 CDK1 (0.58) CDK1CCNB1EPHX2LDHASLC5A1
SCHEMBL5705134 0.81 CDK1 (0.58) CDK1CCNB1EPHX2LDHAADORA1

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
WO-2015109263-A2 BIOMARKERS FOR DETECTING AND MONITORING COLON CANCER UNIVERSITY OF WASHINGTON (US) 2015-07-23 — — WO disclosed
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