SCHEMBL2561933

SCHEMBL2561933

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.70
RARB P10826 1/20 0.58
ADH5 P11766 2/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MYC P01106 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.45
GRM1 Q13255 2/20 0.44

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
SCHEMBL7752136 0.93 HSD17B1 (0.65) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL11507830 0.91 RARB (0.63) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL14540358 0.89 RARB (0.61) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL14947555 0.87 HSD17B1 (0.51) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL6562840 0.86 HSD17B1 (0.65) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL25597224 0.86 HSD17B1 (0.60) HSD17B1RARBADH5ALDH1A1MAPT
SCHEMBL121338 0.85 ESR2 (0.58) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL29707122 0.85 ESR2 (0.58) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL1131951 0.84 RARB (0.57) HSD17B1RARBADH5KDM4EALDH1A1
SCHEMBL2943490 0.84 BCL2L1 (0.58) HSD17B1RARBADH5KDM4EALDH1A1

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