SCHEMBL4349792

SCHEMBL4349792

CC(C)COc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.46
TRIM24 O15164 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SOD1 P00441 1/20 0.45
MAPT P10636 1/20 0.44
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL2967940 0.86 TRIM24 (0.55) KDM4ELMNATRIM24MAPTNR1H4
SCHEMBL19384428 0.85 LMNA (0.61) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL9324039 0.85 MAOB (0.51) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19384259 0.85 LMNA (0.61) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19384288 0.85 LMNA (0.61) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19384624 0.84 MAOB (0.50) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL20535109 0.84 MAOB (0.50) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL20535111 0.84 MAOB (0.50) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL29985682 0.84 MAOB (0.50) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19384211 0.84 MAOB (0.50) MAOBHSD17B10ALDH1A1KDM4ELMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117049961-A Yeast dehydrogenase inhibitor derivative and synthesis method thereof 苏州君叶生物医药科技有限公司 2023-11-14 CN disclosed
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 EP disclosed
WO-2020239656-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2020-12-03 WO disclosed
EP-3681864-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-07-22 EP disclosed
WO-2019053634-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2019-03-21 WO disclosed
CN-109293597-A A kind of preparation method of Febuxostat 安徽省庆云医药股份有限公司 2019-02-01 CN disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 EP disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
WO-2010151797-A2 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2010-12-29 WO disclosed
EP-0975710-B2 POLYMER ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2009-06-10 EP disclosed
CN-101243047-A Phenoxyacetic acids as PPAR delta activators NOVO NORDISK AS (DK) 2008-08-13 CN disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
EP-0975710-B1 POLYMER ELECTROLUMINESCENT DEVICE KONINKL PHILIPS ELECTRONICS NV (NL) 2003-09-10 EP disclosed
EP-1310540-A1 Polymer electroluminescent device Koninklijke Philips Electronics N.V. (NL) 2003-05-14 EP disclosed
US-20020001732-A1 POLYMER ELECTROLUMINESCENT DEVICE U.S. PHILIPS CORPORATION 2002-01-03 US disclosed
EP-0975710-A1 POLYMER ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 2000-02-02 EP disclosed
WO-1999021936-A1 POLYMER ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 1999-05-06 WO disclosed