SCHEMBL11904717

SCHEMBL11904717

CC(C)(C)OC(=O)NCc1ccc(OCCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ CA12 O43570 5/20 0.50
▸ CA1 P00915 5/20 0.50
▸ CA2 P00918 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ RECQL P46063 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ FAAH O00519 2/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ SDCBP O00560 1/20 0.47
▸ SDC2 P34741 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46

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
SCHEMBL1668757 0.93 NR1H4 (0.59) ALDH1A1L3MBTL1HDAC1LMNAEPHX2
SCHEMBL1668726 0.88 ALDH1A1 (0.54) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL31606699 0.87 CA1 (0.54) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL595225 0.86 CA12 (0.52) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL3608658 0.86 EPHX2 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL10227120 0.86 FAAH (0.64) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL23462113 0.85 L3MBTL1 (0.54) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL23884201 0.85 HDAC1 (0.56) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL1852791 0.83 EPHX2 (0.58) L3MBTL1CA12CA1CA2HDAC1
SCHEMBL19553789 0.83 EPHX2 (0.51) ALDH1A1L3MBTL1CA12CA1CA2

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-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 — — EP disclosed
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