SCHEMBL8680335

SCHEMBL8680335

Brc1ccc2c(c1)C=CC1(Oc3ccccc3C=C1c1ccccc1)O2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
AHR P35869 2/20 0.38
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
XDH P47989 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
TXNRD1 Q16881 1/20 0.30
TXNRD3 Q86VQ6 1/20 0.30
TXNRD2 Q9NNW7 1/20 0.30

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
SCHEMBL8685158 0.86 HTR2C (0.41) NPSR1HTR2CHTR2B
SCHEMBL8679967 0.84 KDM4E (0.33) NPSR1
SCHEMBL8680987 0.83 NPSR1 (0.41) NPSR1CA12CA9HIF1AEPAS1
SCHEMBL8684835 0.79 MEN1 (0.43) CA12CA9HIF1AEPAS1
SCHEMBL9333313 0.75 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8680556 0.74 KDM4E (0.44) CA12CA9TXNRD1TXNRD3TXNRD2
SCHEMBL8680334 0.73 ADRA1D (0.33)
SCHEMBL8682027 0.73 NPSR1 (0.38) NPSR1AHRHTR2CHTR2BPTGS1
SCHEMBL3877465 0.73 CA12 (0.33) HTR2CHTR2BCA12CA9HIF1A
SCHEMBL11595247 0.73 NPSR1 (0.46) NPSR1AHRHTR2CCA12CA2

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