SCHEMBL29013199

SCHEMBL29013199

C=C(C(=O)O)C(=O)C(N)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 2/20 0.33
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ALPI P09923 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL15768221 0.77 LMNA (0.43) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL15781198 0.77 LMNA (0.43) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL11398851 0.75 SIRT1 (0.37) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL28651090 0.67 THRB (0.40) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL41189 0.67 LMNA (0.45) LMNASMN1; SMN2PKML3MBTL1POLB
SCHEMBL820641 0.65 CYP2C19 (0.45) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL6686346 0.65 EPHX1 (0.45) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL13901175 0.64 MAPT (0.45) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL8045457 0.64 MAPK1 (0.39) LMNASMN1; SMN2PKML3MBTL1MAPK1
SCHEMBL6965136 0.63 LMNA (0.46) LMNASMN1; SMN2PKML3MBTL1MAPK1

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-116234355-A Light-emitting substrate and light-emitting device 上海步哒科技合伙企业(有限合伙) 2023-06-06 CN disclosed