SCHEMBL5239017

SCHEMBL5239017

O=Cc1c(OCOCc2ccccc2)ccc2c(=O)c3cccc(OCOCc4ccccc4)c3oc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.42
MAOA P21397 4/20 0.37
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 2/20 0.36
POLB P06746 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5239013 0.73 LOXL2 (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL3579185 0.68 AR (0.43) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7854219 0.68 ALDH1A1 (0.59) MAPTSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL29502965 0.68 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL15688640 0.68 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL18702691 0.68 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL3923636 0.67 MAPT (0.66) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL11395546 0.67 LOXL2 (0.52) NPC1RAB9ALOXL2MAOACSF1R
SCHEMBL27720646 0.66 KCNA3 (0.56) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL13035481 0.66 CCNB2 (0.46) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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-1585740-A4 PROCESS TO PREPARE PSOROSPERMIN CYLENE PHARMACEUTICALS INC (US) 2007-06-13 EP disclosed
EP-1585740-A2 PROCESS TO PREPARE PSOROSPERMIN Cylene Pharmaceuticals, Inc. (US) 2005-10-19 EP disclosed
WO-2004019888-A2 PROCESS TO PREPARE PSOROSPERMIN CYLENE PHARMACEUTICALS, INC. (US) 2004-03-11 WO disclosed