SCHEMBL28633508

SCHEMBL28633508

C=C(NCc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.57
MAPT P10636 4/20 0.54
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NAMPT P43490 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
RIPK1 Q13546 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11169677 0.83 PPID (0.60) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
Hydrochloric Acid SCHEMBL28335799 0.83 HDAC3 (0.54) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
Benzene SCHEMBL8878788 0.80 PPID (0.64) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
SCHEMBL423344 0.80 PPID (0.64) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
SCHEMBL215282 0.79 PPID (0.56) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
SCHEMBL6734953 0.79 PPID (0.56) PPIDMAPTSMN1; SMN2NAMPTKMT2A
SCHEMBL7202692 0.79 SMN1; SMN2 (0.61) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
SCHEMBL215283 0.79 PPID (0.56) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
N-Benzylmethylamine SCHEMBL15166619 0.78 MAPT (0.50) PPIDMAPTALDH1A1SMN1; SMN2NAMPT
Methacrylic Acid SCHEMBL26097617 0.78 PPID (0.55) PPIDMAPTALDH1A1SMN1; SMN2NAMPT

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-113544222-A Electron beam-curable printing ink composition and electron beam-curable overprint varnish composition 阪田油墨股份有限公司 2021-10-22 CN disclosed