SCHEMBL9160867

SCHEMBL9160867

CCCCC(C)C(=O)CO[PH](=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
FDPS P14324 1/20 0.34
CA2 P00918 6/20 0.34
ACE2 Q9BYF1 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC15A1 P46059 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL9463468 0.87 CA1 (0.41) CA1FDPSCA2ACE2MAPK1
SCHEMBL10644887 0.81 MAPT (0.42) CA1CA2MAPK1CYP3A4TSHR
SCHEMBL8108999 0.81 MAPT (0.42) CA1CA2MAPK1CYP3A4TSHR
SCHEMBL11374325 0.79 ALDH1A1 (0.35) CYP3A4TDP1LMNA
SCHEMBL11308203 0.77 CA2 (0.34) CA1CA2MAPK1
SCHEMBL28427879 0.77 GRIK1 (0.36)
SCHEMBL7019573 0.76 ACE2 (0.35) CA1CA2ACE2MAPK1SLC15A1
SCHEMBL11437311 0.75 FDPS (0.47) CA1FDPS
SCHEMBL28427864 0.75 LTB4R (0.44) TSHRLMNA
SCHEMBL428739 0.74

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-5380709-A Prostaglandins E and anti ulcers containing same K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-01-10 US disclosed
US-5225439-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-07-06 US disclosed