SCHEMBL11790767

SCHEMBL11790767

CCOC(=O)c1c(C)n(-c2ccccc2F)c(C)c(C(=O)OCC)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ PDE4D Q08499 1/20 0.44

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
SCHEMBL11802232 0.87 MAPT (0.51) MAPTTHRBALDH1A1KMT2AMEN1
SCHEMBL1717514 0.84 NPSR1 (0.51) NPSR1MAPTTP53THRBALDH1A1
SCHEMBL11793691 0.82 THRB (0.55) MAPTTHRBALDH1A1KMT2AMEN1
SCHEMBL11789226 0.81 MAPT (0.60) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL11789135 0.78 POLB (0.51) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL11792085 0.77 MAPT (0.50) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL1716858 0.75 TP53 (0.51) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL11796475 0.75 MAPT (0.58) NPSR1MAPTTP53ALDH1A1KMT2A
SCHEMBL1996045 0.74 CA12 (0.66) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL21257527 0.74 MAPT (0.55) NPSR1MAPTTP53THRBALDH1A1

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-3978072-A ANTIINFLAMMATORY ABIC LTD. (IL) 1976-08-31 — — US disclosed
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