SCHEMBL2561925

SCHEMBL2561925

CC(=O)c1ccc(-c2ccc(C)cc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.53
HSD17B10 Q99714 1/20 0.50
EIF4E P06730 1/20 0.49
FOLH1 Q04609 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CSNK2A1 P68400 1/20 0.49
MAPT P10636 2/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
CYP2A6 P11509 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.44
PTPN11 Q06124 1/20 0.44
MCL1 Q07820 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 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
SCHEMBL6498131 0.90 AKR1C3 (0.57) HSD17B1HSD17B10EIF4EFOLH1SMN1; SMN2
SCHEMBL6495696 0.88 HSD17B10 (0.58) HSD17B10EIF4EFOLH1SMN1; SMN2CSNK2A1
SCHEMBL2557549 0.83 FOLH1 (0.52) HSD17B10EIF4EFOLH1CSNK2A1AKR1C3
SCHEMBL3733709 0.82 HDAC7 (0.60) HSD17B10FOLH1SMN1; SMN2CSNK2A1CYP46A1
SCHEMBL2551816 0.82 PTGS1 (0.50) HSD17B1HSD17B10EIF4EFOLH1SMN1; SMN2
SCHEMBL6499129 0.81 HSD17B10 (0.51) HSD17B10EIF4ESMN1; SMN2CSNK2A1AKR1C2
SCHEMBL27999421 0.81 HSD17B10 (0.51) HSD17B10EIF4EFOLH1SMN1; SMN2CSNK2A1
SCHEMBL6492370 0.81 HSD17B10 (0.51) HSD17B10EIF4ESMN1; SMN2CSNK2A1MAPT
SCHEMBL10925015 0.81 HSD17B1 (0.54) HSD17B1SMN1; SMN2MAPTAKR1C3AKR1C2
SCHEMBL6499169 0.81 HSD17B10 (0.47) HSD17B1HSD17B10FOLH1SMN1; SMN2MAPT

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