SCHEMBL8559028

SCHEMBL8559028

CN1OC1(C(=O)Oc1ccc(OCc2nc3ccccc3o2)cc1)c1ccc(OCc2nc3ccccc3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
ALOX5 P09917 1/20 0.44
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 7/20 0.38
ALOX5AP P20292 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
AKR1B1 P15121 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
SCHEMBL8557729 0.81 PDE10A (0.43) PDE10AALOX5MAPTLMNAALOX5AP
SCHEMBL8834199 0.80 GPBAR1 (0.55) PDE10AALOX5ALOX5APAKR1B1
SCHEMBL8552848 0.76 SMPD1 (0.36) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL8559981 0.73 PARP10 (0.39) PDE10ANPC1MEN1KMT2AKCNH2
SCHEMBL8557960 0.73 GRM5 (0.41) ALOX5MAPTALOX5APPOLBNPC1
SCHEMBL8559969 0.73 PPARD (0.49) ALOX5MAPTPOLBNPC1RAB9A
SCHEMBL10547054 0.72 NPC1 (0.59) PDE10AALOX5MAPTLMNAPOLB
SCHEMBL7547340 0.72 MEN1 (0.60) PDE10AMAPTLMNAPOLBNPC1
SCHEMBL8557961 0.72 MAPT (0.42) ALOX5MAPTLMNAPOLBNPC1
SCHEMBL8555063 0.71 CYSLTR1 (0.42) ALOX5ALOX5AP

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