SCHEMBL20428260

SCHEMBL20428260

C=CC(=O)OCCN(CCOC(=O)c1cccc2sc3ccccc3c(=O)c12)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAOA P21397 11/20 0.34
MAOB P27338 11/20 0.34
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL12795174 0.89 MAOA (0.39) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2023940 0.88 THRB (0.42) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16574414 0.88 SCN1A (0.43) MAPTCYP1A2CYP3A4RAB9AMAOA
SCHEMBL20124723 0.85 MAOA (0.34) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL11994248 0.79 ADRB2 (0.35) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL10030951 0.79 THRB (0.45) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2022526 0.78 ADRB2 (0.34) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL12380009 0.76 MAOA (0.32) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL28295910 0.76 TSHR (0.56) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL10991267 0.76 ALDH1A1 (0.56) MAPTNPC1CYP1A2CYP3A4CYP2C9

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
EP-3046977-B1 RADIATION CURABLE COMPOSITIONS FOR FOOD PACKAGING AGFA NV (BE) 2018-08-01 EP disclosed