SCHEMBL7416239

SCHEMBL7416239

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
LMNA P02545 2/20 1.00
PGR P06401 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
MAOA P21397 1/20 1.00
TBXA2R P21731 1/20 1.00
MAPK1 P28482 1/20 1.00
AVPR2 P30518 1/20 1.00
CYP2C19 P33261 1/20 1.00
HTR2B P41595 1/20 1.00
HTT P42858 1/20 1.00
PDE3A Q14432 1/20 1.00
SIRT2 Q8IXJ6 1/20 1.00
SLC29A1 Q99808 1/20 1.00
ALDH1A1 P00352 1/20 0.73
THRB P10828 1/20 0.73
TRAP1 Q12931 1/20 0.57

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
SCHEMBL7407419 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7404132 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7408250 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7408049 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL1242543 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL19799191 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7415134 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
Idebenone SCHEMBL10515979 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7416961 1.00 MAPT (1.00) MAPTTDP1LMNAPGRCYP3A4
Idebenone SCHEMBL28320 1.00 MAPT (1.00) 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-0038674-B1 MEDICINAL COMPOSITION FOR TREATMENT OF ALLERGIC DISEASES Takeda Chemical Industries, Ltd. (JP) 1989-08-30 EP claimed
US-4358461-A Antiallergic agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-11-09 US claimed
EP-0038674-A1 Medicinal composition for treatment of allergic diseases Takeda Chemical Industries, Ltd. (JP) 1981-10-28 EP claimed
EP-0031727-B1 MEDICINAL COMPOSITIONS COMPRISING AS AN ACTIVE INGREDIENT SUBSTITUTED 1,4-BENZOQUINONES Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP disclosed
US-4559177-A HYPOTENSIVE, CARDIOTONIC AND ANTIPHYLATIC AGENTS; ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-17 US disclosed
US-4436753-A CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-03-13 US disclosed
US-4358461-A Antiallergic agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-11-09 US disclosed
EP-0038674-A1 Medicinal composition for treatment of allergic diseases Takeda Chemical Industries, Ltd. (JP) 1981-10-28 EP disclosed
EP-0031727-A2 Medicinal compositions comprising as an active ingredient substituted 1,4-benzoquinones Takeda Chemical Industries, Ltd. (JP) 1981-07-08 EP 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