SCHEMBL9014307

SCHEMBL9014307

OC[C@H]1O[C@H](O)[C@H](Oc2cccc(O)c2)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA13 Q8N1Q1 2/20 0.48
CA14 Q9ULX7 1/20 0.48
CA6 P23280 1/20 0.48
TYR P14679 4/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC5A2 P31639 1/20 0.41

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
SCHEMBL9014322 1.00 CA12 (0.48) CA12CA1CA9CA2CA4
SCHEMBL9014071 1.00 CA12 (0.48) CA12CA1CA9CA2CA4
SCHEMBL9013970 1.00 CA12 (0.48) CA12CA1CA9CA2CA4
SCHEMBL9013967 0.85 POLB (0.56) TYRPOLBKDM4EGAAMAPT
SCHEMBL9014317 0.85 POLB (0.56) TYRPOLBKDM4EGAAMAPT
SCHEMBL9014342 0.85 POLB (0.56) TYRPOLBKDM4EGAAMAPT
SCHEMBL9013955 0.85 POLB (0.56) TYRPOLBKDM4EGAAMAPT
SCHEMBL9014038 0.85 TYR (0.51) CA12CA1CA9CA2CA4
SCHEMBL987983 0.85 ACHE (0.44) CA12CA1CA9TYRSLC5A2
SCHEMBL5728675 0.84 TYR (0.48) TYRSLC5A2

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
EP-0745719-A2 Use of carbohydrate compounds as auxiliary agents in the dyeing or printing of fibrous materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-04 EP disclosed