SCHEMBL2561352

SCHEMBL2561352

Cc1ccc(C)c2c(C=O)c(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ESR2 Q92731 1/20 0.37
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.35
PAK4 O96013 1/20 0.34
PRKX P51817 1/20 0.34
PTGS2 P35354 1/20 0.34
PGR P06401 1/20 0.34
TGFBR1 P36897 2/20 0.34
TGFBR2 P37173 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 1/20 0.33

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
SCHEMBL29953116 0.86 KDM4E (0.37) ALOX5PTGESPIN1KDM4E
SCHEMBL15330627 0.84 ALOX5 (0.43) ALOX5PTGESMGAMGAASI
SCHEMBL29951558 0.84 TNKS2 (0.43) MGAMGAASIMGAM2KDM4E
SCHEMBL15329808 0.83 BRD4 (0.37) ALOX5PTGESKDM4EBRD4PAK4
SCHEMBL2557473 0.82 ALOX5 (0.39) ALOX5PTGESMGAMGAASI
SCHEMBL29953933 0.80 MAPT (0.48) PGR
SCHEMBL2553502 0.80 ERN1 (0.39) KDM4EPTGS2PGR
SCHEMBL15331531 0.80 BRD4 (0.35) ALOX5PTGESBRD4PTGS2PGR
SCHEMBL2556672 0.79 MGAM (0.39) ALOX5PTGESMGAMGAASI
SCHEMBL2556848 0.79 ALOX5 (0.39) ALOX5PTGESMGAMGAASI

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