SCHEMBL9544446

SCHEMBL9544446

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
PTPN1 P18031 1/20 0.36
PREP P48147 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
TACR1 P25103 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
SCHEMBL9543406 0.92 PTPN1 (0.38) HDAC8PTPN1PREP
SCHEMBL9542649 0.91 PREP (0.39) HDAC8PTPN1PREP
SCHEMBL9543787 0.89 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL9544819 0.87 DRD4 (0.38)
SCHEMBL9543619 0.86 DRD2 (0.38) HDAC8PTPN1
SCHEMBL9542741 0.86 CFTR (0.37) HDAC8OPRM1
SCHEMBL9542714 0.86 PREP (0.41) HDAC8PTPN1PREP
SCHEMBL9543510 0.86 ALDH1A1 (0.43) HDAC8
SCHEMBL9544100 0.86 JAK2 (0.40) OPRM1OPRL1
SCHEMBL9543221 0.85 DRD2 (0.35) OPRM1OPRL1

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