SCHEMBL11053244

SCHEMBL11053244

O=C(O)C(Cc1ccc(O)cc1)N(Cl)I

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.51
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
POLB P06746 1/20 0.41
FOLH1 Q04609 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL11053246 1.00 SLC7A5 (0.51) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL169321 0.86 SLC7A5 (0.55) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL607090 0.86 SLC7A5 (0.55) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL169322 0.86 SLC7A5 (0.55) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL607091 0.86 SLC7A5 (0.55) SLC7A5CA2CAMK2AESR1ESR2
Methane SCHEMBL17267562 0.84 SLC7A5 (0.53) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL23610302 0.83 SLC7A5 (0.51) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL22615037 0.83 SLC7A5 (0.51) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL23610314 0.83 SLC7A5 (0.51) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL2542276 0.80 SLC7A5 (0.56) SLC7A5CA2CAMK2AESR1ESR2

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-4447356-A CYCLIC POLYPEPTIDES; MOLLUSC VENOMS; ANTICHOLINERGIC AGENTS; NERVOUS SYSTEM DISORDERS OLIVERA BALDOMERO M 1984-05-08 US disclosed