SCHEMBL2558288

SCHEMBL2558288

CCc1ccc(CCC=O)cc1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
SKP2 Q13309 1/20 0.37
DHFR P00374 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
GAA P10253 2/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL27942378 0.82 SKP2 (0.36) SKP2GAAALDH1A1POLBMAPT
SCHEMBL4765688 0.82 DHFR (0.36) BACE1SKP2DHFRTAAR1GAA
SCHEMBL20124807 0.80 SKP2 (0.46) BACE1SKP2TAAR1ALDH1A1MAPT
SCHEMBL9517485 0.79 ATP4A (0.38) BACE1DHFRTAAR1GAASLC6A2
SCHEMBL394899 0.78 NOS3 (0.45) BACE1DHFRTAAR1GAASLC6A2
SCHEMBL910428 0.76 TAAR1 (0.50) TAAR1ALDH1A1MAPT
SCHEMBL9778643 0.76 GAA (0.52) BACE1DHFRGAASLC6A2SLC6A4
SCHEMBL13862104 0.74 ALDH1A1 (0.42) SKP2TAAR1GAAALDH1A1POLB
SCHEMBL27309890 0.74 BACE1 (0.40) BACE1SKP2DHFRTAAR1GAA
SCHEMBL5830877 0.74 HTR2A (0.53) SKP2SLC6A2SLC6A4ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed