SCHEMBL9229702

SCHEMBL9229702

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCC1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
FFAR1 O14842 6/20 0.33
HDAC6 Q9UBN7 4/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL8924114 0.97 HTR1A (0.34) HTR1AFFAR1HDAC6NPC1NFKB1
SCHEMBL9283372 0.89 FFAR1 (0.33) HTR1AFFAR1MAOAMAOBCYP2C8
SCHEMBL8553780 0.80 NPC1 (0.36) HTR1AFFAR1HDAC6NPC1NFKB1
SCHEMBL8603712 0.77 NR1I2 (0.37) HTR1ANPC1NFKB1RAB9ANFKB2
SCHEMBL8604570 0.76 HDAC6 (0.38) FFAR1HDAC6NPC1NFKB1RAB9A
SCHEMBL8551826 0.76 FFAR4 (0.44) FFAR1HDAC6MEN1KMT2AUSP2
SCHEMBL8553057 0.76 KMT2A (0.34) FFAR1HDAC6NPC1NFKB1RAB9A
SCHEMBL8553882 0.75 HDAC6 (0.37) FFAR1HDAC6NPC1NFKB1RAB9A
SCHEMBL8553434 0.75 MEN1 (0.36) FFAR1HDAC6NPC1NFKB1RAB9A
SCHEMBL8555548 0.75 LMNA (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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