SCHEMBL15329865

SCHEMBL15329865

COc1ccc(C=O)c(OC(C)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
KMT2A Q03164 2/20 0.50
ERN1 O75460 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
CDC42 P60953 1/20 0.43

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
SCHEMBL5561673 0.88 ERN1 (0.51) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL15330720 0.87 ALDH1A1 (0.59) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL5561328 0.87 ALDH1A1 (0.59) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL8356166 0.85 ALDH1A1 (0.75) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL15331830 0.85 ALDH1A1 (0.56) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL2559187 0.83 ALDH1A1 (0.55) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL899151 0.83 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL15331034 0.82 ERN1 (0.47) ALDH1A1KMT2AERN1MEN1TDP1
SCHEMBL5304098 0.82 KMT2A (0.45) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL2559695 0.81 ALDH1A1 (0.52) ALDH1A1TRIM24TYRTRIM33KMT2A

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