SCHEMBL16693293

SCHEMBL16693293

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
NAMPT P43490 5/20 0.49
CYP17A1 P05093 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL16693256 0.87 SMN1; SMN2 (0.50) NPSR1CYP17A1SMN1; SMN2LMNAMAPK1
SCHEMBL16693226 0.84 CYP17A1 (0.49) PKMCD274NPSR1NAMPTCYP17A1
SCHEMBL16693251 0.84 CYP17A1 (0.49) CD274NAMPTCYP17A1SMN1; SMN2MAPK1
SCHEMBL16693255 0.84 CD274 (0.52) PKMCD274NPSR1NAMPTCYP17A1
SCHEMBL16693290 0.81 HDAC3 (0.49) PKMNPSR1NAMPTSMN1; SMN2LMNA
SCHEMBL16693229 0.81 CYP17A1 (0.52) NAMPTCYP17A1SMN1; SMN2HDAC3HDAC8
SCHEMBL14279941 0.80 CD274 (0.60) PKMCD274NPSR1NAMPTCYP17A1
SCHEMBL262736 0.78 TDP1 (0.47) ALDH1A1
SCHEMBL16693228 0.78 CYP17A1 (0.51) NPSR1NAMPTCYP17A1SMN1; SMN2HDAC3
SCHEMBL2651542 0.78 CD274 (0.57) CD274NPSR1NAMPTCYP17A1MAPK1

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