SCHEMBL269277

SCHEMBL269277

O=C(O)c1cccc2occc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
MAOA P21397 1/20 0.44
FTO Q9C0B1 1/20 0.44
PTPN1 P18031 1/20 0.42
KMT2A Q03164 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM4A O75164 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HIF1AN Q9NWT6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TYMS P04818 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL28782405 0.91 KMT2A (0.43) MAOBNR4A1NR4A2NR4A3ALDH1A1
Isophthalic Acid SCHEMBL27753681 0.90 PTPN1 (0.50) MAOBNR4A1NR4A2NR4A3PTPN1
SCHEMBL827785 0.82 MAOB (0.42) MAOBALDH1A1MAOAFTOKMT2A
SCHEMBL30669447 0.82 ALDH1A1 (0.46) MAOBALDH1A1MAOAFTOKMT2A
SCHEMBL827158 0.82 ALDH1A1 (0.46) MAOBALDH1A1MAOAFTOKMT2A
SCHEMBL6221900 0.82 MAOB (0.47) MAOBALDH1A1ALOX15MAOAFTO
SCHEMBL3647205 0.82 MTNR1B (0.36) MAOBNR4A1NR4A2NR4A3MRGPRX1
SCHEMBL1380870 0.78 PLK1 (0.54) MAOBMAOAFTOMRGPRX1CYP1A1
SCHEMBL826486 0.78 LMNA (0.46) ALDH1A1ALOX15KMT2AMRGPRX1KDM4E
SCHEMBL7699866 0.78 MTNR1A (0.43) MAOBALDH1A1MAOAFTOPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 CN claimed
CN-111440137-B 3, 4-benzocoumarin derivative and preparation method and application thereof 华东理工大学 2022-08-16 CN claimed
CN-113754619-A Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2021-12-07 CN claimed
CN-111440137-A 3, 4-benzocoumarin derivative and preparation method and application thereof 华东理工大学 2020-07-24 CN claimed
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP claimed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US claimed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO claimed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO claimed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO claimed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO claimed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 WO claimed
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed