SCHEMBL9716236

SCHEMBL9716236

OC(COCCCCCCCCCCCCC1CCCCC1)CSCCOCCOC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
EPHX1 P07099 1/20 0.30

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
SCHEMBL9716283 0.88 USP2 (0.40) MEN1KMT2ASPHK2SPHK1
SCHEMBL9716286 0.81 MEN1 (0.30) MEN1KMT2A
SCHEMBL9716337 0.80 USP2 (0.40) MEN1KMT2ASPHK2SPHK1
SCHEMBL9716311 0.79 USP2 (0.39) MEN1KMT2ASPHK2SPHK1
SCHEMBL9716353 0.75 NPC1 (0.36) MEN1KMT2ASPHK1
SCHEMBL10551991 0.74 MEN1 (0.49) MEN1KMT2ASPHK2SPHK1EPHX1
SCHEMBL5595531 0.74 USP2 (0.42) MEN1KMT2A
SCHEMBL23292774 0.72 MEN1 (0.49) MEN1KMT2ASPHK2SPHK1EPHX1
SCHEMBL23292764 0.72 MEN1 (0.49) MEN1KMT2ASPHK2SPHK1EPHX1
SCHEMBL23292756 0.72 MEN1 (0.49) MEN1KMT2ASPHK2SPHK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed