SCHEMBL8862452

SCHEMBL8862452

CCCCCCCCC1=Cc2c(ccc3ccccc23)OC12C=Cc1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 5/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
GLA P06280 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 6/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPK1 P28482 1/20 0.33
RAD52 P43351 1/20 0.33
CNR1 P21554 2/20 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
SCHEMBL8680047 0.99 ADRA1D (0.36) ADRA1DADRA1AADRA1BKDM4ENPC1
SCHEMBL8862533 0.91 KDM4E (0.40) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8862888 0.91 KDM4E (0.40) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8862455 0.91 KDM4E (0.40) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8862458 0.91 KDM4E (0.40) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8682562 0.90 KDM4E (0.40) ADRA1DADRA1AADRA1BKDM4ENPC1
SCHEMBL8681194 0.90 KDM4E (0.40) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8680637 0.88 KDM4E (0.32) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8862447 0.87 GAA (0.41) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL8680037 0.86 ADRA1D (0.36) ADRA1DADRA1AADRA1BKDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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