SCHEMBL8680602

SCHEMBL8680602

Cc1ccc2c(c1)C=CC1(C=Cc3c(ccc4ccccc34)O1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
MAOA P21397 2/20 0.35
CYP2A6 P11509 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 2/20 0.34

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
SCHEMBL30612751 0.85 ALDH1A1 (0.51) NPC1MAPTMEN1GAAKMT2A
SCHEMBL6139999 0.85 ALDH1A1 (0.51) NPC1MAPTMEN1GAAKMT2A
SCHEMBL5913910 0.84 ALDH1A1 (0.55) NPC1MAPTMEN1GAAKMT2A
SCHEMBL30612735 0.84 ALDH1A1 (0.55) NPC1MAPTMEN1GAAKMT2A
SCHEMBL8680374 0.84 KDM4E (0.43) NPC1MAPTMEN1GAAKMT2A
SCHEMBL8681961 0.80 ALDH1A1 (0.46) NPC1MAPTMEN1GAAKMT2A
SCHEMBL30612722 0.80 ALDH1A1 (0.46) NPC1MAPTMEN1GAAKMT2A
SCHEMBL8680691 0.79 ALDH1A1 (0.48) NPC1MAPTMEN1GAAKMT2A
SCHEMBL8862536 0.77 ALDH1A1 (0.48) NPC1MAPTMEN1GAAKMT2A
SCHEMBL8682698 0.76 ALDH1A1 (0.40) NPC1MAPTMEN1GAAKMT2A

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