SCHEMBL15329660

SCHEMBL15329660

CCOc1cc(C=O)cc([N+](=O)[O-])c1OC(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 6/20 0.43
HPGD P15428 5/20 0.43
POLB P06746 3/20 0.43
KDM4C Q9H3R0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SIRT1 Q96EB6 1/20 0.39
XDH P47989 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2559632 0.87 TUBB4A (0.45) ALDH1A1KMT2AMAPTHPGDPOLB
SCHEMBL28497425 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL1748385 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL2559822 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL2560800 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL531735 0.76 TUBB4A (0.44) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL346053 0.76 KMT2A (0.64) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL15330723 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL531831 0.75 ALDH5A1 (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL14835718 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AMAPTMEN1

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