SCHEMBL2553211

SCHEMBL2553211

C=C(Br)COc1cc(OC)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ERN1 O75460 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LY96 Q9Y6Y9 1/20 0.40
TNFRSF1A P19438 1/20 0.39

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
SCHEMBL15332229 0.89 KDM4E (0.58) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15330829 0.86 ALDH1A1 (0.59) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL2560137 0.85 ERN1 (0.45) ALDH1A1ERN1KDM4ERAB9ACYP1A2
SCHEMBL7840891 0.82 ALDH1A1 (0.63) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL29707984 0.82 ALDH1A1 (0.63) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL2558788 0.81 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL7840901 0.81 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15331330 0.79 ALDH1A1 (0.58) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL8447028 0.79 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL1748666 0.79 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33ERN1

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