SCHEMBL2561499

SCHEMBL2561499

C=C(Cl)COc1ccc(Br)cc1C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.68
TSHR P16473 4/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ERN1 O75460 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2556401 0.86 PTGDR2 (0.70) PTGDR2TSHRPOLBL3MBTL1CTDSP1
SCHEMBL2557097 0.83 TDP1 (0.47) PTGDR2TSHRL3MBTL1TDP1HPGD
SCHEMBL15330082 0.82 PTGDR2 (0.46) PTGDR2TSHRPOLBL3MBTL1HPGD
SCHEMBL2879909 0.81 PTGDR2 (1.00) PTGDR2TSHRPOLBL3MBTL1CTDSP1
SCHEMBL29952214 0.81 PTGDR2 (1.00) PTGDR2TSHRPOLBL3MBTL1CTDSP1
SCHEMBL8460565 0.80 PTGDR2 (0.75) PTGDR2TSHRPOLBL3MBTL1CTDSP1
SCHEMBL2562401 0.80 PTGDR2 (0.75) PTGDR2TSHRPOLBL3MBTL1CTDSP1
SCHEMBL2562699 0.79 KDM4E (0.58) PTGDR2L3MBTL1HPGDRAB9ASMN1; SMN2
SCHEMBL4478065 0.78 PTGDR2 (0.67) PTGDR2TSHRPOLBL3MBTL1CTDSP1
SCHEMBL2561249 0.78 PTGDR2 (0.65) PTGDR2POLBL3MBTL1TDP1HPGD

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