SCHEMBL7410602

SCHEMBL7410602

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAK1 Q13153 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FASN P49327 1/20 0.41
FFAR1 O14842 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL7324242 1.00 POLB (0.49) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7323280 0.99 POLB (0.47) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7325937 0.90 STING1 (0.45) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7409659 0.89 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10981871 0.89 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL28973812 0.89 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7411935 0.89 MEN1 (0.43) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL29756463 0.89 MEN1 (0.55) MEN1KMT2APAK1MAPTTDP1
SCHEMBL7322491 0.89 POLB (0.51) POLBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL23534110 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031727-B1 MEDICINAL COMPOSITIONS COMPRISING AS AN ACTIVE INGREDIENT SUBSTITUTED 1,4-BENZOQUINONES Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP disclosed
US-4436753-A CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-03-13 US disclosed
EP-0031727-A2 Medicinal compositions comprising as an active ingredient substituted 1,4-benzoquinones Takeda Chemical Industries, Ltd. (JP) 1981-07-08 EP disclosed