SCHEMBL7330799

SCHEMBL7330799

COC1=C(OC)C(=O)C(CCCCCCCCCCOC(C)=O)=C(C)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
LMNA P02545 2/20 0.68
PGR P06401 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
MAOA P21397 1/20 0.68
TBXA2R P21731 1/20 0.68
MAPK1 P28482 1/20 0.68
AVPR2 P30518 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTR2B P41595 1/20 0.68
HTT P42858 1/20 0.68
PDE3A Q14432 1/20 0.68
SIRT2 Q8IXJ6 1/20 0.68
SLC29A1 Q99808 1/20 0.68
ALDH1A1 P00352 2/20 0.65
THRB P10828 1/20 0.65
TRAP1 Q12931 1/20 0.52

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
SCHEMBL7409497 1.00 MAPT (0.68) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL10943776 1.00 MAPT (0.68) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7409852 1.00 MAPT (0.68) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL22157909 0.89 MAPT (0.69) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL17165949 0.87 MAPT (0.66) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL4398494 0.85 MAPT (0.53) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL15344010 0.84 MAPT (0.73) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL15695725 0.82 MAPT (0.70) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL22172489 0.82 MAPT (0.59) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL25968998 0.82 MAPT (0.59) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4831265-A ANTIFIBROTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-16 US disclosed
US-4559177-A HYPOTENSIVE, CARDIOTONIC AND ANTIPHYLATIC AGENTS; ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-17 US disclosed
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4514420-A Antifibrotic agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-30 US disclosed
EP-0021841-B1 2,3-DIALKOXY-1,4-QUINONE DERIVATIVES; METHOD OF PRODUCING 1,4-QUINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1984-10-24 EP disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
EP-0058057-A1 Method of producing quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1982-08-18 EP disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
EP-0021841-A2 2,3-Dialkoxy-1,4-quinone derivatives; method of producing 1,4-quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed