SCHEMBL8615964

SCHEMBL8615964

CCOP(=O)(OCC)C(CCCN(C)Cc1ccc(C(C)O)cc1)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
POLB P06746 2/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ATM Q13315 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
SCHEMBL9222544 0.97 GAA (0.41) GAAPOLBBCHEACHEMEN1
SCHEMBL8624176 0.84 SIGMAR1 (0.47) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL9227103 0.81 PYCR1 (0.42) BCHEACHEMEN1KMT2ALMNA
SCHEMBL9224638 0.79 FDFT1 (0.36) POLBBCHEACHEMEN1KMT2A
SCHEMBL8620518 0.76 POLB (0.41) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL9229838 0.71 MAPT (0.43) POLBBCHEACHEKDM4EALDH1A1
SCHEMBL15981064 0.70 GAA (0.36) GAAPOLBACHEKDM4ESMN1; SMN2
SCHEMBL31219090 0.68 POLB (0.42) GAAPOLBALDH1A1MAPT
SCHEMBL8399769 0.66 SIGMAR1 (0.57) LMNATMEM97SIGMAR1ATM
SCHEMBL17577638 0.65 ALDH1A1 (0.36) GAAPOLBACHEKDM4EALDH1A1

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
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed