SCHEMBL28107491

SCHEMBL28107491

O=C(CCS)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.40
PEPD P12955 1/20 0.36
ACE P12821 2/20 0.32
FDPS P14324 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL285627 0.84 CA4 (0.48) CA4PEPDFDPSBLMTDP1
SCHEMBL27473070 0.81 CA4 (0.46) CA4PEPDFDPSBLMTDP1
SCHEMBL1643232 0.81 CA4 (0.46) CA4PEPDFDPSBLMTDP1
SCHEMBL2201756 0.79 TSHR (0.43) CA4PEPDFDPSBLMTDP1
SCHEMBL598426 0.79
SCHEMBL12189869 0.77 CA4 (0.42) CA4PEPDFDPSBLMTDP1
SCHEMBL27725186 0.77 CA4 (0.42) CA4PEPD
Ammonia Solution, Strong SCHEMBL1408904 0.77 CA4 (0.42) CA4PEPD
SCHEMBL28732280 0.77 CA4 (0.42) CA4PEPDFDPSBLMTDP1
SCHEMBL28150616 0.76 CA4 (0.37) CA4PEPD

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-106124487-A A kind of electrogenerated chemiluminescence multicomponent immunologic detection method based on spectrally resolved principle 山东大学 2016-11-16 CN disclosed