SCHEMBL7324262

SCHEMBL7324262

COc1cc(C)c(CCCCCCCCCC(=O)O)c(O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX5 P09917 5/20 0.48
IMPDH1 P20839 2/20 0.47
F13A1 P00488 3/20 0.41

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
SCHEMBL7327155 1.00 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11001669 1.00 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11000559 1.00 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11001924 0.96 POLB (0.47) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11000696 0.96 POLB (0.47) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL7320031 0.94 POLB (0.46) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL7320313 0.88 ALOX5 (0.47) POLBMAPK1SMN1; SMN2ALOX5
SCHEMBL7408029 0.88 ALOX5 (0.47) POLBMAPK1SMN1; SMN2ALOX5
SCHEMBL27725307 0.84 POLB (0.46) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11007140 0.83 ALOX5 (0.47) POLBMAPK1SMN1; SMN2ALOX5IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US claimed
US-4842775-A SODIUM BOROHYDRIDE IN PRESENCE OF ALUMINUM CHLORIDE AND WATER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
WO-1988008415-A1 REDUCTION OF CARBOXILIC ESTERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-03 WO disclosed
EP-0124379-B1 HYDROQUINONE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1986-08-13 EP 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-4495104-A PHARMACEUTICAL COMPOUNDS EFFECTIVE AGAINST HEART FAILURE, DERIODONTAL DISEASE, DIABETES; HYPOTENSIVE AND ANTIANAPHYLACTIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-01-22 US disclosed
EP-0124379-A1 Hydroquinone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1984-11-07 EP 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
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 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
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 EP disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed