SCHEMBL13868598

SCHEMBL13868598

Oc1ccc(CNC2CCC(NCc3ccc(O)c(O)c3)CC2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 3/20 0.53
▸ ERCC4 Q92889 3/20 0.53
▸ ARG1 P05089 1/20 0.52
▸ FYN P06241 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ IGF1R P08069 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ ALPL P05186 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ PLAA Q9Y263 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
SCHEMBL109025 1.00 ERCC1 (0.53) ERCC1ERCC4ARG1FYNMEN1
SCHEMBL8346672 0.91 HRH3 (0.61) ERCC1ERCC4ARG1MEN1KMT2A
SCHEMBL15458910 0.83 ERCC1 (0.43) ERCC1ERCC4ARG1FYNCA1
SCHEMBL10912805 0.81 MAPT (0.58) CA1CA2CA4CA6HRH3
SCHEMBL139478 0.81 ERCC1 (0.58) ERCC1ERCC4ARG1CA1CA2
SCHEMBL8231045 0.81 ERCC1 (0.58) ERCC1ERCC4ARG1CA1CA2
SCHEMBL108594 0.81 ERCC1 (0.58) ERCC1ERCC4ARG1CA1CA2
SCHEMBL22953954 0.81 FYN (0.57) ERCC1ERCC4ARG1FYNKDM4E
SCHEMBL10285598 0.81 QDPR (0.55) ERCC1ERCC4KDM4EALDH1A1MAPT
SCHEMBL10073807 0.79 MEN1 (0.69) MEN1RAB9AKMT2AHRH3HDAC1

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
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 — — US disclosed
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 — — US disclosed
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 — — US disclosed
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