SCHEMBL28064984

SCHEMBL28064984

O=P(O)(O)OP(=O)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
FDPS P14324 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
INPP5A Q14642 2/20 0.36
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMPD1 P17405 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
CA9 Q16790 1/20 0.30
ITPR3 Q14573 3/20 0.30
ITPR2 Q14571 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
SCHEMBL269923 0.98 ACHE (0.44) ACHEFDPSBLMTDP1INPP5A
SCHEMBL28508461 0.94 ACHE (0.41) ACHEFDPSBLMTDP1INPP5A
SCHEMBL269633 0.86 ACHE (0.36) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL3630177 0.85 ACHE (0.46) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL2867895 0.83 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL3630309 0.83 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL6252712 0.82 ACHE (0.41) ACHEFDPSBLMTDP1INPP5A
SCHEMBL2149479 0.80 INPP5A (0.52) ACHEINPP5ANPSR1MEN1KMT2A
SCHEMBL2867897 0.80 ACHE (0.44) ACHEFDPSBLMTDP1INPP5A
Methane SCHEMBL8335521 0.80 ACHE (0.39) ACHEFDPSBLMTDP1INPP5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105452378-A High modulus and ultra-high ductility blended thermoplastic compositions SABIC INNOVATIVE PLASTICS IP 2016-03-30 CN disclosed