SCHEMBL16693255

SCHEMBL16693255

C=CC(=O)OCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
PKM P14618 1/20 0.49
NAMPT P43490 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP17A1 P05093 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL16693231 0.84 RAB9A (0.47) CD274NPSR1PKMNAMPTSMN1; SMN2
SCHEMBL16693293 0.84 PKM (0.52) CD274NPSR1PKMNAMPTSMN1; SMN2
SCHEMBL16693288 0.81 CYP17A1 (0.49) NAMPTCYP17A1HDAC3HDAC8
SCHEMBL14279941 0.80 CD274 (0.60) CD274NPSR1PKMNAMPTSMN1; SMN2
SCHEMBL757089 0.78 TDP1 (0.47) TSHR
SCHEMBL4143456 0.78 CYP17A1 (0.51) NAMPTSMN1; SMN2CYP17A1HDAC3HDAC8
SCHEMBL2651542 0.78 CD274 (0.57) CD274NPSR1NAMPTMAPK1CYP17A1
SCHEMBL22051890 0.77 NPC1 (0.41) NPSR1PKMSMN1; SMN2MAPK1TSHR
SCHEMBL5925523 0.77 NAMPT (0.56) CD274NAMPTCYP17A1HDAC1HDAC6
SCHEMBL2659302 0.77 CD274 (0.56) CD274NAMPTSMN1; SMN2LMNACYP17A1

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
WO-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed