SCHEMBL17847508

SCHEMBL17847508

C/C(=C\CCOC(=O)Nc1ccccc1Sc1cccc(Sc2ccccc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 5/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 9/20 0.43
LMNA P02545 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 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
SCHEMBL17847513 1.00 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL22318945 0.95 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL22318944 0.95 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL22318927 0.82 L3MBTL1 (0.44) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL22318929 0.82 L3MBTL1 (0.44) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL19712972 0.81 TDP1 (0.46) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL19712963 0.81 TDP1 (0.47) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL17847441 0.80 TDP1 (0.46) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL17847510 0.78 TDP1 (0.45) ALDH1A1KMT2AMEN1TDP1BLM
SCHEMBL17847480 0.75 CHRM3 (0.55)

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