SCHEMBL9810017

SCHEMBL9810017

CCCCOC(OCCCC)P(=O)(O)CC(C#N)CC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
LPAR3 Q9UBY5 5/20 0.33
LPAR1 Q92633 4/20 0.33
LPAR2 Q9HBW0 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 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
SCHEMBL9417123 0.75 MEN1 (0.42) MEN1CYP1A2KMT2ALPAR3LPAR1
SCHEMBL9142433 0.75 MEN1 (0.42) MEN1CYP1A2KMT2AFDPS
SCHEMBL9340203 0.71 FDPS (0.35) FDPS
Phosphoric Acid SCHEMBL2580447 0.68 LAP3 (0.39) FDPS
SCHEMBL6355943 0.68 CYP1A2 (0.72) MEN1CYP1A2KMT2ALPAR3LPAR1
Phosphoric Acid SCHEMBL574558 0.65 FDPS (0.43) FDPS
Phosphoric Acid SCHEMBL574780 0.65 FDPS (0.43) FDPS
SCHEMBL1486019 0.65
SCHEMBL10343815 0.63 FDPS (0.46) LPAR3LPAR1LPAR2CYP3A4FDPS
SCHEMBL10804132 0.63 TSHR (0.39) MEN1KMT2ACYP3A4

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-5064819-A Antidepressants, anxiolytic agents, GABA antagonists CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed