SCHEMBL19005918

SCHEMBL19005918

CCCOc1cc2c(cc1CCCc1ccc(OC)c(N)c1)OCCS2(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
GAA P10253 2/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTT P42858 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.32
APAF1 O14727 1/20 0.32

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
SCHEMBL19005967 0.91 GAA (0.36) GAAMTNR1AMTNR1BHTTMAPT
SCHEMBL18987254 0.86 MAPT (0.37) HTR1ASLC6A4GAAHTTMAPT
SCHEMBL19005956 0.83 HTR1A (0.36) HTR1ASLC6A4GAAMTNR1AMTNR1B
SCHEMBL19006005 0.82 HTR1A (0.34) HTR1ASLC6A4MTNR1AMTNR1BMAPT
SCHEMBL18987392 0.81 LARS1 (0.35) HTR1ASLC6A4MTNR1AMTNR1B
SCHEMBL19005979 0.80 HTT (0.36) GAAMTNR1AMTNR1BHTTMAPT
SCHEMBL19005968 0.77 GAA (0.37) GAAMTNR1AMTNR1BHTTMAPT
SCHEMBL19005974 0.77 LMNA (0.38) GAAHTTMAPTMEN1KMT2A
SCHEMBL19005989 0.74 HDAC1 (0.37) GAAMTNR1AMTNR1BMAPTMEN1
SCHEMBL19005991 0.74 MTNR1A (0.34) MTNR1AMTNR1BMAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed