SCHEMBL8100073

SCHEMBL8100073

CCC(CC)(c1ccc(C(=O)Nc2nc3c(OC)cc(OC)cc3s2)cc1)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 4/20 0.55
▸ SCD O00767 14/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CHRM4 P08173 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL8093463 0.86 DUSP3 (0.69) DUSP3MEN1NPC1RAB9AKMT2A
SCHEMBL8087171 0.83 DUSP3 (0.58) DUSP3SCDMEN1NPC1RAB9A
SCHEMBL8094946 0.80 DUSP3 (0.55) DUSP3SCDMEN1NPC1RAB9A
SCHEMBL8096406 0.69 DUSP3 (0.72) DUSP3MEN1NPC1RAB9AKMT2A
SCHEMBL2164428 0.68 CA1 (0.44) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL4609991 0.68 KDM4E (0.40) KMT2A
SCHEMBL8095230 0.68 DUSP3 (0.67) DUSP3MEN1NPC1RAB9AKMT2A
SCHEMBL31243 0.68 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL1986611 0.68 APP (0.57) —
SCHEMBL272507 0.67 MAPT (0.54) MEN1NPC1RAB9AKMT2A

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
EP-0604657-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-01-12 — — EP claimed
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