SCHEMBL8680934

SCHEMBL8680934

C1=CC2(Oc3ccc4ccccc4c31)Oc1ccc3ccccc3c1C=C2CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
APP P05067 1/20 0.33
RAB9A P51151 1/20 0.31
HTR1A P08908 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8680034 0.91 HTT (0.38) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8680541 0.91 KDM4E (0.41) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8685135 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8862618 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8862447 0.84 GAA (0.41) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8681779 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8681194 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8862888 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8862533 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8862458 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1NPC1

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