SCHEMBL11079769

SCHEMBL11079769

CC(C)c1ccc(C(O)P(=O)(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.59
PGK2 P07205 5/20 0.59
NPSR1 Q6W5P4 1/20 0.49
PTPN5 P54829 4/20 0.46
TYR P14679 2/20 0.43
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11208020 0.88 PGK1 (0.71) PGK1PGK2PTPN5CYP2D6
SCHEMBL21352447 0.86 NPSR1 (0.49) PGK1PGK2NPSR1PTPN5TYR
Phosphoric Acid SCHEMBL28070785 0.83 PTPN5 (0.53) PGK1PGK2NPSR1PTPN5TYR
(4-Chlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL292744 0.82 PGK1 (0.59) PGK1PGK2NPSR1PTPN5
(4-Chlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL5746553 0.82 PGK1 (0.59) PGK1PGK2NPSR1PTPN5
SCHEMBL744283 0.82 PGK1 (0.59) PGK1PGK2PTPN5MEN1KMT2A
SCHEMBL11080198 0.82 PGK1 (0.59) PGK1PGK2MEN1KMT2A
SCHEMBL5743524 0.82 PGK1 (0.59) PGK1PGK2MEN1KMT2A
SCHEMBL10252598 0.79 PGK1 (0.61) PGK1PGK2PTPN5HIF1A
SCHEMBL27537183 0.78 PTPN5 (0.55) PGK1PGK2NPSR1PTPN5TYR

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-4471118-A Preparation of aldehydes by heating an α-hydroxyphosphonic acid ester BAYER AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed