SCHEMBL15330643

SCHEMBL15330643

CCOc1cc(C=O)ccc1OC(C)C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TACR2 P21452 1/20 0.47
TOP2A P11388 6/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 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
SCHEMBL2559490 0.89 ALDH1A1 (0.54) ALDH1A1GAAKDM4ESMN1; SMN2TACR2
SCHEMBL15331005 0.85 ALDH1A1 (0.59) ALDH1A1GAAKDM4ETACR2TOP2A
SCHEMBL2553498 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL15331407 0.84 ALDH1A1 (0.65) ALDH1A1GAAKDM4ETACR2TOP2A
SCHEMBL15330014 0.83 ALDH1A1 (0.57) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL11683846 0.81 ALDH1A1 (0.60) ALDH1A1GAAKDM4ETACR2TOP2A
SCHEMBL1121408 0.81 ALDH1A1 (0.59) ALDH1A1GAAKDM4ESMN1; SMN2TACR2
SCHEMBL2557576 0.80 SMN1; SMN2 (0.47) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL15332829 0.80 SMN1; SMN2 (0.51) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL24010982 0.77 ALDH1A1 (0.52) ALDH1A1GAAKDM4ETACR2TOP2A

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