SCHEMBL7320313

SCHEMBL7320313

COC(=O)CCCCCCCCCc1c(C)cc(OC)c(OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TRPV1 Q8NER1 3/20 0.39

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
SCHEMBL7408029 1.00 ALOX5 (0.47) ALOX5POLBMAPK1SMN1; SMN2MEN1
SCHEMBL11001669 0.88 POLB (0.50) ALOX5POLBMAPK1SMN1; SMN2
SCHEMBL11000559 0.88 POLB (0.50) ALOX5POLBMAPK1SMN1; SMN2
SCHEMBL7324262 0.88 POLB (0.50) ALOX5POLBMAPK1SMN1; SMN2
SCHEMBL7327155 0.88 POLB (0.50) ALOX5POLBMAPK1SMN1; SMN2
SCHEMBL10556631 0.85 ALOX5 (0.46) ALOX5TRPV1
SCHEMBL27282340 0.85 ALOX5 (0.43) ALOX5POLBMAPK1SMN1; SMN2MEN1
SCHEMBL9638493 0.84 TSHR (0.46) ALOX5MAPK1MEN1KMT2AALDH1A1
SCHEMBL11001924 0.84 POLB (0.47) ALOX5POLBMAPK1SMN1; SMN2
SCHEMBL11000696 0.84 POLB (0.47) ALOX5POLBMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022467-A2 NOVEL BENZOQUINONE DERIVATIVES AND USE THEREOF AS MODULATORS OF MITOCHONDRIAL FUNCTION SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-02-23 WO disclosed
EP-0201196-B1 BENZOQUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-07-03 EP disclosed
US-4897420-A ISCHEMIC DISEASES; ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
US-4842775-A SODIUM BOROHYDRIDE IN PRESENCE OF ALUMINUM CHLORIDE AND WATER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
EP-0201196-A2 Benzoquinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-11-12 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
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-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