SCHEMBL24534147

SCHEMBL24534147

COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.61
ACE P12821 5/20 0.57
CPA1 P15085 5/20 0.57
ACE2 Q9BYF1 5/20 0.57
GNPAT O15228 1/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
FPR2 P25090 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL24534148 1.00 MME (0.61) MMEACECPA1ACE2GNPAT
Benzene SCHEMBL27569477 0.94 MME (0.59) MMEACECPA1ACE2ALDH1A1
Benzene SCHEMBL27550557 0.94 MME (0.59) MMEACECPA1ACE2ALDH1A1
SCHEMBL754129 0.94 MME (0.59) MMEACECPA1ACE2ALDH1A1
Benzene SCHEMBL27550555 0.94 MME (0.59) MMEACECPA1ACE2ALDH1A1
SCHEMBL205548 0.94 MME (0.59) MMEACECPA1ACE2ALDH1A1
SCHEMBL627437 0.94 MME (0.59) MMEACECPA1ACE2ALDH1A1
SCHEMBL13968381 0.92 MME (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL7772111 0.90 MME (0.66) MME
SCHEMBL5492842 0.90 MME (0.66) MME

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
WO-2022133232-A1 METHODS FOR MANUFACTURE OF SMALL MOLECULE ACTIVATORS OF TIE-2 EyePoint Pharmaceuticals, Inc. (US) 2022-06-23 WO disclosed