SCHEMBL8661865

SCHEMBL8661865

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
FFAR1 O14842 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 0.96 KMT2A (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8553434 0.95 MEN1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9283372 0.87 FFAR1 (0.33) FFAR1
SCHEMBL8553780 0.83 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8555076 0.83 NPC1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8555533 0.82 KMT2A (0.32) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8603712 0.82 NR1I2 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8604570 0.81 HDAC6 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8551826 0.81 FFAR4 (0.44) KMT2AMEN1USP2ALOX15MAPK1
SCHEMBL9089363 0.81 NPSR1 (0.42) NPSR1KMT2AMEN1MAPK1HDAC6

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-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed