SCHEMBL8964749

SCHEMBL8964749

Oc1[c]cc2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AHR P35869 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
MAOA P21397 5/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11754531 0.85 AHR (0.47) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL21295695 0.78 MAPT (0.47) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL5367660 0.78 MAPT (0.47) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL21295786 0.75 MAPT (0.44) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL2089391 0.74 MEN1 (0.44) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL16919496 0.73 AHR (0.71) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL571563 0.73 AHR (0.71) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL905380 0.72 MAOA (0.72) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3874960 0.72 AHR (0.59) MAPTKDM4EALDH1A1HPGDMEN1
Dibenzofuran SCHEMBL8207 0.72 MAPT (0.68) MAPTKDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed