SCHEMBL29951797

SCHEMBL29951797

CC(=O)c1cc(C)ccc1OCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.69
ABCB1 P08183 6/20 0.53
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL14066214 0.88 PTGDR2 (0.60) PTGDR2KDM4ESMN1; SMN2L3MBTL1TDP1
SCHEMBL15296803 0.88 ABCB1 (0.55) PTGDR2ABCB1LMNAMAPTHTT
SCHEMBL18791370 0.87 PTGDR2 (0.56) PTGDR2KDM4ELMNAMAPTHTT
SCHEMBL14273072 0.85 PTGDR2 (0.57) PTGDR2KDM4ESMN1; SMN2L3MBTL1TDP1
SCHEMBL11263623 0.84 KDM4E (0.53) PTGDR2ABCB1KDM4ELMNAMAPT
SCHEMBL11637091 0.83 ABCB1 (0.56) PTGDR2ABCB1LMNAMAPTHTT
SCHEMBL3065130 0.83 CYP3A4 (0.62) PTGDR2ABCB1KDM4ELMNAMAPT
SCHEMBL320418 0.82 PTGDR2 (0.66) PTGDR2KDM4ELMNAHTTSMN1; SMN2
SCHEMBL718460 0.82 PTGDR2 (0.68) PTGDR2HTTSMN1; SMN2L3MBTL1TDP1
SCHEMBL3691062 0.82 PTGDR2 (0.68) PTGDR2MAPTTDP1TSHR

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