SCHEMBL2558136

SCHEMBL2558136

COc1cc(C(=O)O)cc(-c2ccc(C(C)=O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.73
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
HSD17B1 P14061 3/20 0.47
HSD17B2 P37059 2/20 0.47
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
RXRB P28702 1/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL30420728 0.85 RXRA (0.69) RXRACA1CA2SMN1; SMN2MEN1
SCHEMBL14150399 0.85 RXRA (0.69) RXRACA1CA2SMN1; SMN2MEN1
SCHEMBL2035502 0.84 RXRA (1.00) RXRACA1CA2KDM4EHSD17B10
SCHEMBL2556922 0.84 FABP1 (0.56) RXRASMN1; SMN2MEN1KMT2AHSD17B2
SCHEMBL2958179 0.84 RXRA (0.68) RXRACA1CA2KDM4EABL1
SCHEMBL14878383 0.83 RXRA (0.57) RXRAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9938491 0.81 RXRA (0.64) RXRAMAPTSMN1; SMN2ABL1ABCB1
SCHEMBL2561821 0.81 RXRA (0.64) RXRACA1CA2ABL1ABCB1
SCHEMBL7157751 0.81 RXRA (0.68) RXRACA1CA2SMN1; SMN2MEN1
SCHEMBL5682878 0.81 CA1 (0.52) RXRACA1CA2SMN1; SMN2MEN1

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