SCHEMBL27728615

SCHEMBL27728615

C=C(C)C(=O)Oc1ccc(C(=O)O)c(C(=O)O)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36

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
SCHEMBL6536425 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL27400722 0.83 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL3855075 0.82 CFD (0.40) TSHRMAPTPOLBALDH1A1KDM4E
SCHEMBL28058206 0.81 TSHR (0.49) CA12CA1CA2CA7CA9
SCHEMBL1319878 0.81 CFD (0.45) CA12CA1CA2CA7CA9
SCHEMBL27488935 0.80 ELANE (0.40) CA12CA1CA2CA7CA9
SCHEMBL1319507 0.79 NR1H2 (0.37) CA12CA1CA2CA7CA9
SCHEMBL27962389 0.78 HSD17B2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28849157 0.78 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL28222952 0.77 TSHR (0.57) CA12CA1CA2CA7CA9

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
CN-102152560-A Antireflective laminate and manufacturing method thereof, and curable composition JSR CORP 2011-08-17 — — CN disclosed
CN-101222901-A Dental restorative composition SUN MEDICAL CO LTD (JP) 2008-07-16 — — CN disclosed
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