SCHEMBL2561564

SCHEMBL2561564

CC(=O)c1cccc([C@](C)(N)C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR6 P50406 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
CYP2D6 P10635 1/20 0.33
ECE1 P42892 1/20 0.33
KAT6A Q92794 1/20 0.32
PTGES O14684 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2556047 1.00 P2RX7 (0.41) P2RX7CYP2C19CYP1A2KDM4EALOX15
SCHEMBL9298480 0.84 P2RX7 (0.44) P2RX7CYP1A2KDM4EALOX15TSHR
SCHEMBL13043862 0.80 ALDH1A1 (0.44) P2RX7CYP1A2KDM4EALOX15TSHR
SCHEMBL26352318 0.79 ALDH1A1 (0.42) P2RX7KDM4EALOX15TSHRACMSD
SCHEMBL10322275 0.78 CYP1A2 (0.40) P2RX7CYP2C19CYP1A2KDM4EALOX15
SCHEMBL29951088 0.75 CYP2C19 (0.38) CYP2C19CYP1A2CYP2D6
SCHEMBL29951703 0.75 CYP2C19 (0.38) CYP2C19CYP1A2CYP2D6
SCHEMBL13043982 0.75 P2RX7 (0.62) P2RX7KDM4EALOX15TSHRACMSD
SCHEMBL29799817 0.75 P2RX7 (0.62) P2RX7KDM4EALOX15TSHRACMSD
SCHEMBL26352839 0.75 P2RX7 (0.41) P2RX7CYP1A2KDM4EALOX15TSHR

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