SCHEMBL8557020

SCHEMBL8557020

CON=C(C(=O)Oc1ccc(OCc2cnc3ccccc3n2)cc1)c1ccc(OCc2cnc3ccccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.46
PDE10A Q9Y233 7/20 0.42
ALOX5 P09917 4/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
CYSLTR1 Q9Y271 3/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL8554930 0.88 GPBAR1 (0.62) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8555090 0.87 GPBAR1 (0.61) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8554714 0.83 PARP10 (0.57) MAPTKMT2ASMN1; SMN2
SCHEMBL8559076 0.81 KMT2A (0.40) GPBAR1ALOX5MAPTRAB9AKMT2A
SCHEMBL8626716 0.80 NPC1 (0.54) ALOX5NPC1MAPTRAB9AKMT2A
SCHEMBL8555940 0.80 ADORA3 (0.41) GPBAR1PDE10AALOX5MAPTRAB9A
SCHEMBL8559589 0.80 PDE10A (0.49) PDE10AALOX5NPC1MAPTRAB9A
SCHEMBL8559814 0.79 PARP10 (0.45) GPBAR1PDE10ANPC1KMT2ASMN1; SMN2
SCHEMBL8622650 0.79 NPC1 (0.53) ALOX5NPC1MAPTRAB9AKMT2A
SCHEMBL8557400 0.79 GPBAR1 (0.45) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2

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
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed