SCHEMBL11176992

SCHEMBL11176992

O=C(O)C(C(=O)O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ADH1A P07327 4/20 0.36
ADH1C P00326 3/20 0.35
ADH1B P00325 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
PHGDH O43175 1/20 0.33

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
SCHEMBL27808546 0.87 FDPS (0.44) FDPSALDH1A1ADH1AADH1CADH1B
SCHEMBL28077115 0.83 FDPS (0.48) FDPSALDH1A1CES2CES1ADH1A
SCHEMBL601669 0.79 FDPS (0.45) FDPSALDH1A1ADH1AADH1CADH1B
SCHEMBL601670 0.79 FDPS (0.45) FDPSALDH1A1ADH1AADH1CADH1B
SCHEMBL11174606 0.79 ALDH1A1 (0.41) FDPSALDH1A1ADH1AADH1CADH1B
SCHEMBL1468324 0.79 FDPS (0.45) FDPSALDH1A1ADH1AADH1CADH1B
SCHEMBL16149273 0.73 FDPS (0.39) FDPSADH1AADH1CADH1B
SCHEMBL16149274 0.73 FDPS (0.39) FDPSADH1AADH1CADH1B
SCHEMBL31634159 0.71 FDPS (0.38) FDPSALDH1A1ADH1AADH1CADH1B
SCHEMBL754311 0.69 PHGDH (0.46) FDPSALDH1A1CES2CES1ADH1A

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-4421914-A IMMUNE FUNCTION REGULATORS TEIJIN LIMITED (JP) 1983-12-20 US disclosed
EP-0049902-A2 Novel thiazolo(3,2-a)pyrimidines, derivatives thereof, processes for production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1982-04-21 EP disclosed