SCHEMBL2553883

SCHEMBL2553883

C=C(Br)COc1c(Br)cccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
SRC P12931 1/20 0.34
ERN1 O75460 3/20 0.33
MAPK1 P28482 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2561488 0.86 CA1 (0.38) CA1CA2PTGDR2ALDH1A1HPGD
SCHEMBL2561402 0.83 PTGDR2 (0.57) CA1CA2PTGDR2ALDH1A1HPGD
SCHEMBL2556019 0.81 ALDH1A1 (0.51) CA1CA2PTGDR2ALDH1A1HPGD
SCHEMBL2556100 0.81 SRC (0.54) CA1CA2PTGDR2ALDH1A1HPGD
SCHEMBL2561372 0.80 LMNA (0.41) CA1CA2PTGDR2ALDH1A1HPGD
SCHEMBL2559156 0.78 ALDH1A1 (0.43) CA1CA2PTGDR2ALDH1A1HPGD
SCHEMBL10265246 0.77 LMNA (0.50) CA1CA2ALDH1A1HPGDHTT
SCHEMBL28921813 0.77 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL2558062 0.76 SMN1; SMN2 (0.49) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL15330937 0.76 ALDH1A1 (0.45) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2

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