SCHEMBL11309604

SCHEMBL11309604

C[C@H](CSC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N1C(C(=O)O)CSC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ FFAR2 O15552 5/20 0.40
▸ ACE P12821 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 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
SCHEMBL11309600 1.00 CA1 (0.40) CA1CA2CA7CA13FFAR2
SCHEMBL11309596 1.00 CA1 (0.40) CA1CA2CA7CA13FFAR2
SCHEMBL11377391 0.85 POLB (0.40) CA1CA2ACE
SCHEMBL11377409 0.85 POLB (0.40) CA1CA2ACE
SCHEMBL11377374 0.85 POLB (0.40) CA1CA2ACE
SCHEMBL11110226 0.83 ACE (0.53) FFAR2ACEKMT2A
SCHEMBL11089460 0.80 ACE (0.45) CA1CA2ACEKMT2A
SCHEMBL11089449 0.80 ACE (0.45) CA1CA2ACEKMT2A
SCHEMBL11084537 0.78 CA2 (0.44) CA1CA2ACEKMT2ALMNA
SCHEMBL11084531 0.78 CA2 (0.44) CA1CA2ACEKMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56071081-A — — None — — JP disclosed
JP-S5671081-A THIAZOLINEDICARBOXYLIC ACID DERIVATIVE YOSHITOMI PHARMACEUT IND LTD 1981-06-13 — — JP disclosed
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