SCHEMBL9686357

SCHEMBL9686357

O=C(O)[C@H](CS(=O)(=O)O)NCP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.40
MME P08473 5/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
GGH Q92820 1/20 0.33
ACE P12821 1/20 0.32
ENPEP Q07075 2/20 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
Sulfuric Acid SCHEMBL4078845 0.80 KDM4E (0.40) ECE1MMEMEN1KMT2ACA2
Sulfuric Acid SCHEMBL4078837 0.80 KDM4E (0.40) ECE1MMEMEN1KMT2ACA2
SCHEMBL142363 0.78 GGT1 (0.36) ENPEP
SCHEMBL142364 0.78 GGT1 (0.36) ENPEP
SCHEMBL2985279 0.76 ECE1 (0.47) ECE1MMEMEN1KMT2ACA2
SCHEMBL2987367 0.76 ECE1 (0.47) ECE1MMEMEN1KMT2ACA2
SCHEMBL2988687 0.75 KDM4E (0.45) ECE1MMEMEN1KMT2ACA2
SCHEMBL2988265 0.75 CA2 (0.56) ECE1MMEMEN1KMT2ACA2
SCHEMBL2988262 0.75 CA2 (0.56) ECE1MMEMEN1KMT2ACA2
SCHEMBL2983953 0.75 ECE1 (0.42) ECE1MMEMEN1KMT2ACA2

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
EP-0481668-A1 Multifunctional scale inhibitors CALGON CORPORATION (US) 1992-04-22 EP claimed