SCHEMBL22047950

SCHEMBL22047950

CC(=O)OC1C(O)[C@@H](CO)O[C@@]1(CO)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
LDHA P00338 1/20 0.54
EPHX2 P34913 4/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SLC28A3 Q9HAS3 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
SYNJ2 O15056 1/20 0.36
PYGB P11216 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
SCHEMBL891534 1.00 CDK1 (0.55) CDK1CCNB1LDHAEPHX2MEN1
Ammonia Solution, Strong SCHEMBL190255 0.99 CDK1 (0.54) CDK1CCNB1LDHAEPHX2MEN1
Lindane SCHEMBL8049713 0.95 CDK1 (0.51) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL9619715 0.89 CDK1 (0.56) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL3191785 0.88 CDK1 (0.51) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL3655532 0.88 CDK1 (0.51) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL9241365 0.88 CDK1 (0.53) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL1614945 0.88 LDHA (0.44) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL18167468 0.88 CDK1 (0.55) CDK1CCNB1LDHAEPHX2MEN1
SCHEMBL10390144 0.88 CDK1 (0.55) CDK1CCNB1LDHAEPHX2MEN1

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-20200172835-A1 DETERGENTS AND CLEANERS WITH IMPROVED CLEANING POWER THROUGH THE USE OF CARBOHYDRATES HENKEL AG & CO. KGAA (DE) 2020-06-04 US disclosed