SCHEMBL19005968

SCHEMBL19005968

CCCOc1cc2c(cc1CCCc1ccc(OC)c(N)c1)OCS2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
HTT P42858 4/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL19005979 0.90 HTT (0.36) GAAHTTMAPTMAPK1APAF1
SCHEMBL19005998 0.84 LMNA (0.39) GAAHTTMAPTMEN1KMT2A
SCHEMBL19005967 0.79 GAA (0.36) GAAHTTMAPTMAPK1APAF1
SCHEMBL19005918 0.77 HTR1A (0.38) GAAHTTMAPTMAPK1APAF1
SCHEMBL19005964 0.75 MAPT (0.38) GAAHTTMAPTMEN1KMT2A
SCHEMBL19005965 0.75 CSNK2A1 (0.35) GAAHTTMAPTMEN1KMT2A
SCHEMBL19005960 0.72 REN (0.34) KMT2ASMN1; SMN2KDM4EMTNR1AMTNR1B
SCHEMBL19005957 0.72 HDAC1 (0.36) GAAMEN1KMT2ANPSR1TUBB4A
SCHEMBL18987377 0.71 REN (0.36) MTNR1AMTNR1B
SCHEMBL19005961 0.71 REN (0.36) MTNR1AMTNR1B

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