SCHEMBL26424830

SCHEMBL26424830

NC(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 3/20 0.46
EPHX1 P07099 2/20 0.46
HDAC8 Q9BY41 3/20 0.46
MME P08473 6/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ACE P12821 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL26426129 0.85 MME (0.46) MMEL1MMEACE
SCHEMBL26424764 0.82 MME (0.60) MMEL1MMEACE
SCHEMBL26425140 0.81 CTSG (0.52) MMEL1MMEACE
SCHEMBL26426711 0.80 HTR2A (0.51) HDAC8
SCHEMBL26421930 0.80 PPARG (0.51) HDAC8
SCHEMBL26424706 0.79 KMT2A (0.56) MMEL1MMEALDH1A1ACE
SCHEMBL26426151 0.78 MME (0.45) MMEL1MMEALDH1A1ACE
SCHEMBL26424799 0.77 MMEL1 (0.47) MMEL1MMEACE
SCHEMBL2249629 0.76 ATM (0.49) EPHX1ALDH1A1POLB
SCHEMBL21314298 0.75 HDAC8 (0.47) EPHX1HDAC8MMEACE

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
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed