SCHEMBL8680876

SCHEMBL8680876

C1=CC2(Oc3ccccc31)Oc1ccc3ccccc3c1C=C2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL8685209 0.91 KDM4E (0.42) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8685135 0.90 KDM4E (0.43) HTTKDM4EMEN1NPC1ALDH1A1
SCHEMBL8680034 0.90 HTT (0.38) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8684876 0.82 HTT (0.44) HTTNPSR1MEN1MAPTKMT2A
SCHEMBL8680047 0.81 ADRA1D (0.36) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8680541 0.81 KDM4E (0.41) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8862452 0.80 ADRA1D (0.36) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8680934 0.80 KDM4E (0.42) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8680420 0.80 KDM4E (0.39) HTTNPSR1KDM4EMEN1NPC1
SCHEMBL8680285 0.79 MEN1 (0.41) HTTNPSR1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed