SCHEMBL7323280

SCHEMBL7323280

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PAK1 Q13153 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FASN P49327 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PDE4B Q07343 1/20 0.39
IMPDH2 P12268 1/20 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
SCHEMBL7410602 0.99 POLB (0.49) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7324242 0.99 POLB (0.49) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7325937 0.92 STING1 (0.45) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7409659 0.88 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL29756463 0.88 MEN1 (0.55) MEN1KMT2APAK1MAPTTDP1
SCHEMBL28973812 0.88 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7411935 0.88 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10981871 0.88 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7322491 0.87 POLB (0.51) POLBMAPK1SMN1; SMN2ALDH1A1PDE4B
SCHEMBL23534110 0.86 MEN1 (0.42) POLBMAPK1SMN1; SMN2MEN1KMT2A

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