SCHEMBL15330341

SCHEMBL15330341

CC(=O)c1ccc(-c2cnc(O)cc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.45
EIF4E P06730 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
SGK1 O00141 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
FOLH1 Q04609 1/20 0.39
MAP4K4 O95819 2/20 0.39
PTPN11 Q06124 1/20 0.39
LDHA P00338 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL2559953 0.84 DDT (0.50) EIF4EAKR1C3AKR1C2FOLH1MAP4K4
SCHEMBL2562012 0.84 GABRP (0.51) HSD17B1EIF4ESMN1; SMN2MAPTSGK1
SCHEMBL15330326 0.79 HSD17B10 (0.42) SMN1; SMN2HSD17B10AKR1C3AKR1C2LDHA
SCHEMBL2553120 0.75 LTB4R2 (0.47) HSD17B1EIF4ESMN1; SMN2MAPTPRKAB2
SCHEMBL2559151 0.74 HSD17B1 (0.49) HSD17B1SMN1; SMN2MAPTSGK1MAP4K4
SCHEMBL2560018 0.74 HSD17B1 (0.46) HSD17B1SMN1; SMN2MAPTSGK1PRKAB2
SCHEMBL2561925 0.73 HSD17B1 (0.53) HSD17B1EIF4ESMN1; SMN2MAPTHSD17B10
SCHEMBL9786887 0.73 HSD17B1 (0.66) HSD17B1EIF4ESMN1; SMN2MAPTHSD17B10
SCHEMBL2558137 0.72 MAPT (0.46) HSD17B1EIF4ESMN1; SMN2MAPTSGK1
SCHEMBL2551816 0.72 PTGS1 (0.50) HSD17B1EIF4ESMN1; SMN2MAPTHSD17B10

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