SCHEMBL8958995

SCHEMBL8958995

N[C@@H](c1ccccc1)C(O)(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.53
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KCNN4 O15554 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
SCHEMBL9120791 1.00 KCNA5 (0.53) KCNA5DPP4F2KDM4ELMNA
SCHEMBL1143220 0.82 KCNA5 (0.68) KCNA5DPP4F2KDM4ELMNA
SCHEMBL1143218 0.82 KCNA5 (0.68) KCNA5DPP4F2KDM4ELMNA
SCHEMBL1152870 0.82 KCNA5 (0.68) KCNA5DPP4F2KDM4ELMNA
SCHEMBL2763538 0.78 KCNA5 (0.50) KCNA5DPP4F2KDM4ELMNA
SCHEMBL28827939 0.78 DPP4 (0.50) KCNA5DPP4F2KDM4ELMNA
SCHEMBL6602135 0.76 KCNA5 (0.39) KCNA5DPP4F2LMNAMAPK1
SCHEMBL3054165 0.76 KDM4E (0.44) KCNA5DPP4F2KDM4ELMNA
SCHEMBL1905925 0.74 AOC3 (0.44) KCNA5KDM4ELMNAMAPK1ADRA2A
SCHEMBL10777997 0.74 DPP4 (0.46) KCNA5DPP4F2KDM4ELMNA

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
JP-8208599-A None JP disclosed
JP-H08208599-A PROSTAGLANDIN DERIVATIVE TAISHO PHARMACEUT CO LTD 1996-08-13 JP disclosed