SCHEMBL2561402

SCHEMBL2561402

O=Cc1cccc(Br)c1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.57
KMT2A Q03164 1/20 0.49
CD69 Q07108 4/20 0.47
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 3/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2556019 0.86 ALDH1A1 (0.51) PTGDR2KMT2AHSD17B10CA1CA2
SCHEMBL9646424 0.84 KMT2A (0.66) KMT2ACD69ALOX15TSHRHSD17B10
SCHEMBL2553883 0.83 CA1 (0.39) PTGDR2KMT2ACA1CA2TDP1
SCHEMBL2559156 0.82 ALDH1A1 (0.43) PTGDR2KMT2AHSD17B10CA1CA2
SCHEMBL2561488 0.81 CA1 (0.38) PTGDR2KMT2AHSD17B10CA1CA2
SCHEMBL28921813 0.81 ALDH1A1 (0.60) TSHRHSD17B10L3MBTL1ALDH1A1LMNA
SCHEMBL23111641 0.81 PTGDR2 (0.57) PTGDR2KMT2ACD69ALOX15TSHR
SCHEMBL4746689 0.81 PTGDR2 (0.57) PTGDR2KMT2ACD69ALOX15TSHR
SCHEMBL18095828 0.81 KMT2A (0.72) PTGDR2KMT2ACD69ALOX15CA1
SCHEMBL15330937 0.80 ALDH1A1 (0.45) KMT2ATSHRPKMPOLBALDH1A1

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