SCHEMBL8527962

SCHEMBL8527962

O=[C]C1C=CC(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
CDC25B P30305 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
AKT1 P31749 1/20 0.43
SNCA P37840 1/20 0.43
MAP2K1 Q02750 1/20 0.43
PIN1 Q13526 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
NSD1 Q96L73 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL194746 0.74 HTR2A (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL16047150 0.72 IDO1 (0.46) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL9320748 0.72 IDO1 (0.46) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL6064757 0.68 CDC25B (0.41) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL10601750 0.68 EDNRA (0.44) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL11590902 0.67 IDO1 (0.40) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL17044669 0.67 IDO1 (0.40) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL5100239 0.67 IDO1 (0.40) IDO1CDC25BMAOAMAOBAKT1
Naphthoquinone SCHEMBL27502525 0.66 IDO1 (0.93) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL11593035 0.65 IDO1 (0.38) IDO1CDC25BMAOAMAOBAKT1

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-0466085-B1 Thermotropic liquid crystal polyester KURARAY CO (JP) 1998-03-11 EP disclosed
US-5326848-A Thermotropic liquid crystal polyester KURARAY CO., LTD. (JP) 1994-07-05 US disclosed
EP-0466085-A2 Thermotropic liquid crystal polyester KURARAY CO., LTD. (JP) 1992-01-15 EP disclosed