SCHEMBL9543430

SCHEMBL9543430

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)CC[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ACE P12821 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL9542806 0.92 ACE (0.38) POLBACE
SCHEMBL9544357 0.92 ACE (0.38) POLBACE
SCHEMBL9545027 0.92 ACE (0.38) POLBACE
SCHEMBL9543236 0.92 FFAR2 (0.38) ACE
SCHEMBL9543391 0.85 HTR1A (0.37)
SCHEMBL9543974 0.85 UCHL1 (0.41)
SCHEMBL9543556 0.85 UCHL1 (0.41)
SCHEMBL9545274 0.85 UCHL1 (0.41)
SCHEMBL9543563 0.85 UCHL1 (0.41)
SCHEMBL9543967 0.85 UCHL1 (0.41)

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed