SCHEMBL2561607

SCHEMBL2561607

CC(C)c1ccc(-c2[nH]c3ccc(F)cc3c2C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
MAPK13 O15264 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL15330416 0.92 KDM4E (0.43) PTGS2MAPK13GCGRMAPK12MAPK11
SCHEMBL15331132 0.87 PTGS2 (0.48) PTGS2MAPK14SMN1; SMN2KDM4EALDH1A1
SCHEMBL15332570 0.85 PTGS2 (0.43) PTGS2SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL15332589 0.85 PTGS2 (0.48) PTGS2MEN1KMT2A
SCHEMBL15332293 0.85 KDM4E (0.44) PTGS2KDM4EALDH1A1GAAHTT
SCHEMBL15330822 0.85 PTGS2 (0.44) PTGS2KDM4EALDH1A1GLAGAA
SCHEMBL15330182 0.85 SMN1; SMN2 (0.55) PTGS2SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL15333211 0.84 CCNB2 (0.48) PTGS2KDM4EGAA
SCHEMBL15330123 0.84 PGR (0.42) PTGS2CNR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15332111 0.83 KDM4E (0.44) PTGS2CNR1SMN1; SMN2KDM4EALDH1A1

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