SCHEMBL17847447

SCHEMBL17847447

C=C(CCOC(=O)Nc1ccccc1Sc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 3/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 4/20 0.51
L3MBTL1 Q9Y468 10/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL17847441 0.94 TDP1 (0.46) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL17847510 0.88 TDP1 (0.45) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL19712980 0.81 ALDH1A1 (0.50) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL19712990 0.81 ALDH1A1 (0.52) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL17847457 0.80 L3MBTL1 (0.48) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL17847445 0.78 CHRM3 (0.55) ALDH1A1
SCHEMBL22318944 0.77 ALDH1A1 (0.49) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL22318945 0.77 ALDH1A1 (0.49) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL17847450 0.77 L3MBTL1 (0.53) KMT2AALDH1A1MEN1BLMTDP1
SCHEMBL19712972 0.77 TDP1 (0.46) KMT2AALDH1A1MEN1BLMTDP1

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