SCHEMBL8769261

SCHEMBL8769261

COC(=O)c1ccccc1COc1ccc2c(c1)CCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 2/20 0.65
KDM4E B2RXH2 2/20 0.65
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 7/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 2/20 0.51
GAA P10253 2/20 0.51
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SCN9A Q15858 1/20 0.50
PPARG P37231 2/20 0.48

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
SCHEMBL8769866 0.86 NPC1 (0.60) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5991057 0.81 RAB9A (0.51) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL7676612 0.79 HIF1A (0.54) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL7676608 0.79 HIF1A (0.54) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL8369621 0.79 HIF1A (0.54) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5989500 0.79 NPC1 (0.56) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL31123658 0.78 ALDH1A1 (0.60) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL31123670 0.78 RAB9A (0.70) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL15286510 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL3134818 0.76 SLC6A3 (0.52) MAPTALDH1A1HPGDKDM4ERAB9A

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
EP-0617109-B1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-09-17 EP disclosed
US-5422039-A Having a chiral center-containing a tetralinylene ring as well as a second chiral center; cells having high temperature operating range; high switching speed, low voltage and stable contrast MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-06-06 US disclosed
EP-0617109-A1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP disclosed