SCHEMBL28864232

SCHEMBL28864232

CC(c1ccccc1)C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MME P08473 2/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11004510 0.83 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL5690880 0.79 KDM4E (0.45) KMT2AMEN1CYP2D6LMNAMAPK1
SCHEMBL4751040 0.76 KDM4E (0.42) KMT2ACYP2D6LMNAALDH1A1MAPT
SCHEMBL11883845 0.74 CYP2D6 (0.57) KMT2ACYP2D6SRCLMNAMAPK1
SCHEMBL5690889 0.73 ALDH1A1 (0.42) KMT2AMEN1LMNAALDH1A1MME
SCHEMBL74691 0.72 SRC (0.48) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL15203901 0.71 CYP2D6 (0.44) KMT2ACYP2D6SRCLMNAMAPK1
SCHEMBL12491230 0.71 CYP2D6 (0.44) KMT2ACYP2D6SRCLMNAMAPK1
SCHEMBL2454614 0.71 CYP2D6 (0.52) KMT2ACYP2D6SRCLMNAMAPK1
SCHEMBL585192 0.71 CYP2D6 (0.52) CYP2D6SRCLMNAMAPK1ALDH1A1

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
CN-108530333-A A kind of preparation method of 4- phenyl -2-Pyrrolidone 杭州卢普生物科技有限公司 2018-09-14 CN disclosed