SCHEMBL6418665

SCHEMBL6418665

[CH2]C(OC=CC(=O)O)OCCCC.[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O].[CH2]C[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.46
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 2/20 0.31
ATG4B Q9Y4P1 2/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6421186 0.84 HCAR2 (0.40) HCAR2
SCHEMBL6416132 0.84 HCAR2 (0.40) HCAR2
SCHEMBL6416580 0.84 HCAR2 (0.40) HCAR2
SCHEMBL6417109 0.78 ATM (0.35) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL6415995 0.77 HCAR2 (0.38) HCAR2
SCHEMBL6418363 0.77 HCAR2 (0.38) HCAR2
SCHEMBL8418753 0.71 TSHR (0.35) ATMTSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL9203010 0.69 HCAR2 (0.57) HCAR2ATMTSHRHPGDACHE
Fumaric Acid SCHEMBL5935166 0.68 HCAR2 (0.67) HCAR2ATMTSHRHPGDALDH1A1
Maleic Acid SCHEMBL12981050 0.68 HCAR2 (0.67) HCAR2ATMTSHRHPGDALDH1A1

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-20050019668-A1 Ionic conduction structural member, secondary battery and method of producing same CANON KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed