SCHEMBL1919969

SCHEMBL1919969

CCOC(COc1ccccc1OC)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.54
AGTR1 P30556 1/20 0.54
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
APP P05067 1/20 0.42
MAPT P10636 1/20 0.42
IDO1 P14902 1/20 0.40

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
SCHEMBL13984211 0.89 ALOX15 (0.53) LMNACYP1A2AGTR1KDM4EPOLB
SCHEMBL8584612 0.84 SMN1; SMN2 (0.46) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL13992291 0.84 ALOX15 (0.49) LMNACYP1A2AGTR1KDM4EPOLB
SCHEMBL9631905 0.82 FFAR1 (0.43) LMNACYP1A2AGTR1KDM4E
SCHEMBL29679059 0.82 FFAR1 (0.43) LMNACYP1A2AGTR1KDM4E
SCHEMBL7480447 0.82 KDM4E (0.41) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL4551683 0.81 KDM4E (0.54) LMNACYP1A2SMN1; SMN2KDM4ETDP1
SCHEMBL22069759 0.81 HTR1A (0.53) L3MBTL1TDP1ALDH1A1APPMAPT
SCHEMBL9338341 0.80 L3MBTL1 (0.56) CYP1A2KDM4EPOLBL3MBTL1ALOX15
SCHEMBL14404028 0.80 ALOX15 (0.38) LMNACYP1A2AGTR1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
CN-101883761-B New process for the synthesis of moguisteine A M S A ANONIMA MATERIE SINT E 2013-03-27 CN disclosed
EP-2231627-B1 NEW PROCESS FOR THE SYNTHESIS OF MOGUISTEINE A M S A ANONIMA MATERIE SINT E AFFINI S P A (IT) 2011-06-01 EP disclosed
CN-101883761-A The novel method of the synthesis of moguisteine A M S A ANONIMA MATERIE SINT E 2010-11-10 CN disclosed
EP-2231627-A2 NEW PROCESS FOR THE SYNTHESIS OF MOGUISTEINE A.M.S.A. ANONIMA MATERIE SINTETICHE E AFFINI S.p.A. (IT) 2010-09-29 EP disclosed
EP-2070915-A1 New process for the synthesis of moguisteine A.M.S.A. ANONIMA MATERIE SINTETICHE E AFFINI S.p.A. (IT) 2009-06-17 EP disclosed
WO-2009071528-A2 NEW PROCESS FOR THE SYNTHESIS OF MOGUISTEINE A.M.S.A. ANONIMA MATERIE SINTETICHE E AFFINI S.P.A. (IT) 2009-06-11 WO disclosed