SCHEMBL20995293

SCHEMBL20995293

Cc1ccc(C(=O)C(Br)C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.62
CES1 P23141 3/20 0.62
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 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
SCHEMBL20995299 0.90 CES2 (0.54) CES2CES1L3MBTL1MAPTTSHR
SCHEMBL1481451 0.84 CES2 (0.56) CES2CES1RAB9AL3MBTL1NPC1
SCHEMBL908908 0.82 CES2 (0.46) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL20995296 0.82 CES2 (0.61) CES2CES1L3MBTL1MAOBPTGS2
SCHEMBL27316033 0.80 ALDH1A1 (0.52) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL15458715 0.80 ALDH1A1 (0.48) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL8193467 0.79 SMN1; SMN2 (0.50) CES2CES1L3MBTL1POLBSMN1; SMN2
SCHEMBL2491977 0.78 CES2 (0.46) CES2CES1RAB9AL3MBTL1NPC1
SCHEMBL6201307 0.78 CES2 (0.58) CES2CES1RAB9AL3MBTL1NPC1
SCHEMBL15751600 0.78 L3MBTL1 (0.47) CES2CES1L3MBTL1PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11041119-B2 Europium beta-diketonate luminescent material Melman, Jonathan (US) 2021-06-22 US disclosed
US-20190161674-A1 EUROPIUM BETA-DIKETONATE LUMINESCENT MATERIAL MELMAN, JONATHAN 2019-05-30 US disclosed