SCHEMBL8680367

SCHEMBL8680367

CCCCCC1=Cc2ccccc2OC12C=Cc1ccccc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
UBE2N P61088 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
XDH P47989 1/20 0.32
TRPA1 O75762 2/20 0.31
CNR1 P21554 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
CNR2 P34972 2/20 0.31
TRPV1 Q8NER1 2/20 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
SCHEMBL8680638 0.96 HTR2C (0.36) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL8680043 0.89 CNR1 (0.37) HTR2CHTR2BHTTNPSR1PTGS1
SCHEMBL8680037 0.86 ADRA1D (0.36) HTTNPSR1MEN1MAPTMAPK1
SCHEMBL8680577 0.84 HTR2C (0.40) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL8682562 0.84 KDM4E (0.40) HTTNPSR1MEN1MAPTMAPK1
SCHEMBL8680047 0.84 ADRA1D (0.36) HTTNPSR1MEN1MAPTMAPK1
SCHEMBL11538450 0.83 CYP2C19 (0.34) HTTNPSR1CNR2
SCHEMBL8862452 0.83 ADRA1D (0.36) HTTNPSR1MEN1MAPTMAPK1
SCHEMBL8682757 0.76 KDM4E (0.34) HTR2BHTTNPSR1MEN1MAPT
SCHEMBL8684876 0.75 HTT (0.44) HTR2CHTR2BHTTNPSR1MEN1

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