SCHEMBL7279153

SCHEMBL7279153

CC(C)(C)OC(=O)NOC(=O)CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 1/20 0.35
CA9 Q16790 1/20 0.34
CTSK P43235 3/20 0.33
LMNA P02545 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL28363958 0.88 TSHR (0.54) TSHRKMT2AMEN1GAATDP1
SCHEMBL2433806 0.86 TSHR (0.38) TSHRKMT2AMEN1GAATDP1
SCHEMBL7119549 0.84 TDP1 (0.50) TSHRKMT2AMEN1GAATDP1
SCHEMBL1638343 0.84 CTSK (0.43) KMT2AMEN1GAATDP1CA2
SCHEMBL4653239 0.83 DGKA (0.43) TSHRTDP1CA1CA7CA12
SCHEMBL28651273 0.83 HDAC4 (0.40) TSHRKMT2AMEN1GAATDP1
SCHEMBL9753571 0.83 TDP1 (0.38) TSHRKMT2AMEN1GAATDP1
SCHEMBL5354850 0.82 CA2 (0.41) TSHRKMT2AMEN1GAATDP1
SCHEMBL28609057 0.82 EPHX2 (0.35) KMT2AMEN1GAATDP1CA2
SCHEMBL28919420 0.82 MAPT (0.39) KMT2AMEN1GAATDP1CA2

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
EP-0290211-B1 DIHYDROPYRIDINES Pfizer Limited (GB) 1991-09-04 EP disclosed
EP-0290211-A1 Dihydropyridines Pfizer Limited (GB) 1988-11-09 EP disclosed