SCHEMBL9019294

SCHEMBL9019294

CC1=C(C)C(=O)C(CCCCC#CCCCC#CC(=O)O)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
MAPK1 P28482 1/20 0.35
AVPR2 P30518 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
PDE3A Q14432 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SLC29A1 Q99808 1/20 0.35
ALOX15 P16050 2/20 0.35
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL10895444 0.85 MAPT (0.56) MAPTTDP1LMNAPGRCYP3A4
Docebenone SCHEMBL522781 0.83 MAPT (0.41) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL11093696 0.81 MAPT (0.53) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL11101641 0.81 MAPT (0.49) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL15519187 0.79 PTPN7 (0.54) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL14684712 0.78 MAPT (0.38) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL10892984 0.77 MAPT (0.35) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL15517158 0.77 TDP1 (0.39) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL15520246 0.77 TDP1 (0.42) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL15518487 0.77 TDP1 (0.45) MAPTTDP1LMNAPGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103361-B1 QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-01-29 EP claimed
US-4489096-A ANTIASTHMA, ANTIALLERGEN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-12-18 US claimed
EP-0103361-A1 Quinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-03-21 EP claimed
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
US-5534639-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US disclosed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
EP-0103361-B1 QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-01-29 EP disclosed
US-4489096-A ANTIASTHMA, ANTIALLERGEN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-12-18 US disclosed
EP-0103361-A1 Quinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-03-21 EP disclosed