SCHEMBL8553434

SCHEMBL8553434

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
NCOR1 O75376 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL8553057 0.99 KMT2A (0.34) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL8661865 0.95 NPC1 (0.34) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL9283372 0.83 FFAR1 (0.33) FFAR1
SCHEMBL8553780 0.81 NPC1 (0.36) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL8555076 0.81 NPC1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8555533 0.80 KMT2A (0.32) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL8603712 0.80 NR1I2 (0.37) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL8604570 0.79 HDAC6 (0.38) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL8551826 0.79 FFAR4 (0.44) MEN1KMT2AHDAC6USP2ALOX15
SCHEMBL9089985 0.79 PDE10A (0.31) NPC1NFKB1RAB9ANFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed