SCHEMBL7327155

SCHEMBL7327155

COc1cc(C)c(CCCCCC(=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
SCHEMBL7324262 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US 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
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed