SCHEMBL15330797

SCHEMBL15330797

CC(C)c1ccc(-c2[nH]c3c(F)ccc(F)c3c2C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
ERN1 O75460 2/20 0.37
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
GCGR P47871 2/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PTPN5 P54829 1/20 0.31
NOTUM Q6P988 1/20 0.31
PGR P06401 1/20 0.30
BRD4 O60885 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL15332489 0.87 HSD17B10 (0.33) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL29952269 0.85 ADORA2A (0.33) ERN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29956407 0.85 KDM4E (0.37) MAPK14KDM4EALDH1A1
SCHEMBL2561583 0.82 EIF4A3 (0.36) TYRERN1MAPK13MAPK12MAPK11
SCHEMBL29954926 0.82 GCGR (0.34) MAPK14GCGRALDH1A1HPGDNOTUM
SCHEMBL15331684 0.81 PTGS2 (0.34) ERN1NOTUMPGR
SCHEMBL15331616 0.81 CNR1 (0.40) TYRERN1MAPK13MAPK12MAPK11
SCHEMBL15331202 0.80 TYR (0.39) TYRERN1MAPK13MAPK12MAPK11
SCHEMBL15332033 0.79 ERN1 (0.36) ERN1
SCHEMBL15331326 0.79 MAPK13 (0.38) TYRERN1MAPK13MAPK12MAPK11

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 5 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