SCHEMBL2559289

SCHEMBL2559289

COc1ccc(-c2ccc(C(C)=O)cc2)c(C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.79
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
AKR1C3 P42330 5/20 0.57
AKR1C2 P52895 5/20 0.57
CYP2C8 P10632 1/20 0.56
PTPN11 Q06124 1/20 0.53
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
RXRA P19793 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47

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
SCHEMBL26768653 0.89 SMN1; SMN2 (1.00) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6492271 0.84 SMN1; SMN2 (0.84) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2559766 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5342329 0.84 SMN1; SMN2 (0.84) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3816798 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6490238 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5155116 0.82 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL29853676 0.82 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL7267474 0.82 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4085836 0.81 HSD17B1 (0.64) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9

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