Sugi Predict

Sugi Predict / Compounds / SCHEMBL7423233

SCHEMBL7423233

SCHEMBL7423233

COc1ccc(C[C@@H](NC(C)=O)C(=O)N2CCCC2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.59
▸ FKBP1A P62942 3/20 0.54
▸ ACE2 Q9BYF1 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6435921 1.00 ACE (0.59) ACEFKBP1AACE2TSHRALDH1A1
SCHEMBL6439093 0.93 ACE (0.62) ACEFKBP1AACE2
SCHEMBL7426069 0.92 ACE (0.59) ACEFKBP1AACE2
SCHEMBL6436340 0.92 ACE (0.59) ACEFKBP1AACE2
SCHEMBL8366880 0.91 ACE (0.56) ACEFKBP1A
SCHEMBL7428633 0.90 ACE (0.57) ACEFKBP1AACE2TSHRALDH1A1
SCHEMBL6437871 0.90 ACE (0.57) ACEFKBP1AACE2TSHRALDH1A1
SCHEMBL6435613 0.90 ACE (0.56) ACEFKBP1AACE2TSHRALDH1A1
SCHEMBL7423817 0.90 ACE (0.56) ACEFKBP1AACE2TSHRALDH1A1
SCHEMBL25448062 0.89 ACE (0.57) ACEFKBP1A

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
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 — — EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 — — WO disclosed