SCHEMBL8680577

SCHEMBL8680577

CCC1=Cc2ccccc2OC12C=Cc1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
UBE2N P61088 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
XDH P47989 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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 0.85 HTR2C (0.36) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL8680367 0.84 HTR2C (0.35) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL8685175 0.81 HTR2C (0.42) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL8684876 0.81 HTT (0.44) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL11265037 0.74 HTR2C (0.41) HTR2CMEN1TP53MAPTTSHR
SCHEMBL11233878 0.74 ALDH1A1 (0.30)
SCHEMBL8680043 0.74 CNR1 (0.37) HTR2CHTR2BHTTNPSR1PTGS1
SCHEMBL11586208 0.73 CA12 (0.35) HTR2CHTR2BHTTMEN1MAPT
SCHEMBL2558890 0.73 PTGS1 (0.46) HTR2CHTR2BHTTNPSR1MEN1
SCHEMBL8685158 0.72 HTR2C (0.41) 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