SCHEMBL7325937

SCHEMBL7325937

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 5/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
FASN P49327 1/20 0.43
IMPDH2 P12268 2/20 0.43
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TPMT P51580 1/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 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
SCHEMBL7323280 0.92 POLB (0.47) POLBMAPTTDP1MEN1HPGD
SCHEMBL7324242 0.90 POLB (0.49) POLBMAPTTDP1MEN1HPGD
SCHEMBL7410602 0.90 POLB (0.49) POLBMAPTTDP1MEN1HPGD
SCHEMBL10981871 0.82 MEN1 (0.43) POLBMAPTTDP1MEN1HPGD
SCHEMBL7409659 0.82 MEN1 (0.43) POLBMAPTTDP1MEN1HPGD
SCHEMBL28973812 0.82 MEN1 (0.43) POLBMAPTTDP1MEN1HPGD
SCHEMBL7411935 0.82 MEN1 (0.43) POLBMAPTTDP1MEN1HPGD
SCHEMBL29756463 0.82 MEN1 (0.55) MAPTTDP1MEN1KMT2AHTT
SCHEMBL23534110 0.81 MEN1 (0.42) POLBMAPTTDP1MEN1HPGD
SCHEMBL7411522 0.81 MEN1 (0.42) POLBMAPTTDP1MEN1HPGD

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