SCHEMBL29951572

SCHEMBL29951572

CC(=O)c1cc(Br)ccc1OC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.66
CFD P00746 2/20 0.47
POLB P06746 2/20 0.46
MAOA P21397 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MYC P01106 1/20 0.44
NR4A1 P22736 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.41
CES2 O00748 1/20 0.41
GALR3 O60755 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
SCHEMBL789388 0.87 PTGDR2 (0.63) PTGDR2CFDPOLBMAOAALDH1A1
SCHEMBL1821903 0.83 PTGDR2 (0.63) PTGDR2POLBALDH1A1MAPTCYP1A2
SCHEMBL789387 0.80 PTGDR2 (1.00) PTGDR2POLB
SCHEMBL25027 0.79 CFD (0.73) PTGDR2CFDPOLBALDH1A1CYP1A2
SCHEMBL13019928 0.79 PTGDR2 (0.58) PTGDR2CFDPOLBMAOAALDH1A1
SCHEMBL13064184 0.79 PTGDR2 (0.71) PTGDR2POLBHSD17B10SMN1; SMN2KDM4E
SCHEMBL3493073 0.78 PTGDR2 (0.54) PTGDR2CFDPOLBMAOAALDH1A1
SCHEMBL28671022 0.78 PTGDR2 (0.57) PTGDR2POLBMAOAALDH1A1MAPT
SCHEMBL28671021 0.78 PTGDR2 (0.57) PTGDR2POLBMAOAALDH1A1MAPT
SCHEMBL30468068 0.77 PTGDR2 (0.56) PTGDR2POLBMAOAALDH1A1MAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed