SCHEMBL17847455

SCHEMBL17847455

C/C(=C\CC(C)OC(=O)Nc1ccccc1Sc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 9/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 4/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 5/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL17847458 1.00 L3MBTL1 (0.48) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22318929 0.95 L3MBTL1 (0.44) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22318927 0.95 L3MBTL1 (0.44) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22318881 0.81 CHRM3 (0.48) CYP2C9NPSR1ALDH1A1KMT2AMEN1
SCHEMBL22318883 0.81 CHRM3 (0.48) CYP2C9NPSR1ALDH1A1KMT2AMEN1
SCHEMBL17847450 0.80 L3MBTL1 (0.53) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22318945 0.80 ALDH1A1 (0.49) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22318944 0.80 ALDH1A1 (0.49) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27220955 0.80 MAPT (0.42) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL17847457 0.78 L3MBTL1 (0.48) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed