SCHEMBL2558007

SCHEMBL2558007

COc1cc(C(C)=O)ccc1SCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HPGD P15428 3/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
APEX1 P27695 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL6515876 0.80 LMNA (0.53) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL13859381 0.80 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL11808062 0.79 LMNA (0.52) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL1545503 0.78 LMNA (0.49) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2554815 0.78 RIPK2 (0.51) ALDH1A1KMT2AAPEX1L3MBTL1CYP1A2
SCHEMBL7419329 0.76 MTNR1A (0.56) ALDH1A1LMNAL3MBTL1CYP1A2KDM4E
SCHEMBL29956084 0.74 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1MAPK1
SCHEMBL8862701 0.73 NR1H4 (0.58) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL5476880 0.73 ALDH1A1 (0.49) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL76834 0.73 TSHR (0.73) ALDH1A1KMT2AMEN1LMNAMAPK1

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