SCHEMBL28468342

SCHEMBL28468342

CP(=O)(O)c1ccccc1.[Zr]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA5A P35218 1/20 0.59
ESR1 P03372 1/20 0.54
CFTR P13569 1/20 0.52
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SRC P12931 2/20 0.41

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
SCHEMBL19353458 0.97 CA2 (0.62) CA2CA4CA5AESR1CFTR
SCHEMBL190428 0.97 CA2 (0.62) CA2CA4CA5AESR1CFTR
Ammonia Solution, Strong SCHEMBL28000747 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
SCHEMBL19895698 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
SCHEMBL191538 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
Hydrochloric Acid SCHEMBL11774248 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
SCHEMBL191018 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
SCHEMBL190561 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
SCHEMBL191601 0.95 CA2 (0.59) CA2CA4CA5AESR1CFTR
SCHEMBL28055666 0.88 CA2 (0.52) CA2CA4CA5AESR1CFTR

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
CN-111825883-A Metal complex salts of polydialkylphosphinic acids and/or mixtures thereof, and use thereof 黎杰 2020-10-27 CN disclosed