SCHEMBL4622330

SCHEMBL4622330

CC(=O)O[C@@H]1O[C@@H](COc2cccc(Br)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.44
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
CA2 P00918 4/20 0.42
CYP2D6 P10635 2/20 0.42
P4HB P07237 2/20 0.42
PDIA4 P13667 2/20 0.42
PDIA3 P30101 2/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40

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
SCHEMBL4622327 1.00 POLB (0.50) POLBTSHRCA12CA1CA9
SCHEMBL4959831 1.00 POLB (0.50) POLBTSHRCA12CA1CA9
SCHEMBL4959838 1.00 POLB (0.50) POLBTSHRCA12CA1CA9
SCHEMBL2037083 0.84 POLB (0.58) POLBTSHRCA12CA1CA9
SCHEMBL28330817 0.78 TSHR (0.47) POLBTSHRCYP2D6P4HBPDIA4
SCHEMBL18343933 0.76 CYP2D6 (0.40) POLBTSHRCA12CA1CA9
SCHEMBL7155618 0.73 CYP2D6 (0.51) TSHRCA12CA1CA9CA2
SCHEMBL8744183 0.73 CYP2D6 (0.51) TSHRCA12CA1CA9CA2
SCHEMBL7045459 0.73 CYP2D6 (0.51) TSHRCA12CA1CA9CA2
SCHEMBL7155622 0.73 CYP2D6 (0.51) TSHRCA12CA1CA9CA2

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-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed