SCHEMBL2099883

SCHEMBL2099883

CCC(CC)(N(c1ccc2cc(N)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
HSD11B1 P28845 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
SCHEMBL2098962 0.82 CYP3A4 (0.38)
SCHEMBL2097965 0.81 MAPT (0.42)
SCHEMBL2099401 0.81 DOT1L (0.38)
SCHEMBL2100987 0.80 NR4A2 (0.37)
SCHEMBL2099009 0.79 CA12 (0.36)
SCHEMBL2099846 0.79 CNR2 (0.38) S1PR1
SCHEMBL2098568 0.79 ATM (0.32) S1PR1
SCHEMBL2098605 0.79 KDM4E (0.43)
SCHEMBL2101977 0.77 CNR2 (0.40)
SCHEMBL2099916 0.77 PLK1 (0.38)

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
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed