SCHEMBL11355751

SCHEMBL11355751

CC(N)N.O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc(O)cc1O.O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
FOLH1 Q04609 1/20 0.54
HPGDS O60760 1/20 0.54
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52
NHERF1 O14745 1/20 0.51
MME P08473 3/20 0.50
ACE P12821 3/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GFER P55789 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
OPRD1 P41143 4/20 0.47
OPRM1 P35372 3/20 0.47
OPRK1 P41145 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
PYGL P06737 1/20 0.47

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
SCHEMBL11122263 0.94 CA1 (0.57) CA1CA2FOLH1HPGDSITGB1
SCHEMBL11122142 0.94 CA1 (0.57) CA1CA2FOLH1HPGDSITGB1
SCHEMBL11352264 0.82 FOLH1 (0.54) CA1CA2FOLH1ITGB1ITGA4
SCHEMBL11345537 0.82 CA2 (0.60) CA1CA2FOLH1MMEACE
SCHEMBL8895300 0.80 FOLH1 (0.53) CA1CA2FOLH1ALDH1A1GFER
SCHEMBL31099238 0.80 CA1 (0.57) CA1CA2FOLH1ITGB1ITGA4
SCHEMBL11348583 0.80 ITGB1 (0.57) CA1CA2FOLH1ITGB1ITGA4
SCHEMBL11119910 0.79 CA1 (0.56) CA1CA2FOLH1HPGDSITGB1
SCHEMBL2545591 0.77 ACE (0.65) FOLH1MMEACECPA1ACE2
SCHEMBL2493049 0.77 ACE (0.65) FOLH1MMEACECPA1ACE2

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-4302448-A Secretin preparations with intensified and protracted action, process for their manufacture, their use as well as dihydroxybenzoyl-L-tyrosine HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-24 US disclosed