SCHEMBL9543966

SCHEMBL9543966

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
NAMPT P43490 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1D1 P20393 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
DRD2 P14416 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPN1 P18031 1/20 0.40
ACE P12821 1/20 0.39

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
SCHEMBL894542 1.00 OPRD1 (0.47) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL5064869 0.88 OPRD1 (0.49) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL29163531 0.88 OPRD1 (0.49) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL4595926 0.88 OPRD1 (0.49) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL29401750 0.88 OPRD1 (0.49) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL18914431 0.87 OPRD1 (0.48) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL17572840 0.86 OPRD1 (0.48) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL3929271 0.84 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL10207323 0.84 OPRD1 (0.50) OPRD1NAMPTMEN1KMT2ANR1D1
SCHEMBL2081318 0.84 MEN1 (0.53) OPRD1NAMPTMEN1KMT2ANR1D1

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