SCHEMBL9716337

SCHEMBL9716337

CCCCCCCCCCCCCCCCCCOCC(O)CSCCCOCCCOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G4B P0C869 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SPHK1 Q9NYA1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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 0.91 USP2 (0.40) USP2HTTMEN1KMT2APLA2G4B
SCHEMBL9716311 0.82 USP2 (0.39) USP2HTTMEN1KMT2ALPAR5
SCHEMBL13996379 0.81 USP2 (0.50) USP2HTTMEN1KMT2ALPAR5
SCHEMBL9716236 0.80 MEN1 (0.34) MEN1KMT2ASPHK1SPHK2
SCHEMBL20365467 0.79 MEN1 (0.46) HTTMEN1KMT2ASPHK1ALDH1A1
SCHEMBL20129062 0.79 MEN1 (0.48) HTTMEN1KMT2ASPHK1ALDH1A1
SCHEMBL9716353 0.78 NPC1 (0.36) USP2MEN1KMT2APLA2G4BSPHK1
SCHEMBL25341266 0.77 KMT2A (0.45) USP2HTTMEN1KMT2ASPHK1
SCHEMBL14830427 0.77 KMT2A (0.45) USP2HTTMEN1KMT2ASPHK1
SCHEMBL25339412 0.77 KMT2A (0.45) USP2HTTMEN1KMT2ASPHK1

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