SCHEMBL15330740

SCHEMBL15330740

Nc1ccnn1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KMO O15229 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
NLRP3 Q96P20 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2360816 0.78 MAPK1 (0.51) KDM4EGAAMAPK1KMOTSHR
SCHEMBL9299670 0.78 KDM4E (0.42) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL28150960 0.78 KDM4E (0.48) KDM4EGAAMAPK1ALDH1A1PKM
SCHEMBL2175235 0.76 MAPK1 (0.68) KDM4EGAAMAPK1ALDH1A1LMNA
SCHEMBL25342529 0.74 NLRP3 (0.47) KDM4EMAPK1ALDH1A1KMOLMNA
SCHEMBL16968020 0.73 MAPK1 (0.46) KDM4EMAPK1ALDH1A1KMOLMNA
SCHEMBL1270152 0.73 MAPK1 (0.42) KDM4EMAPK1ALDH1A1KMOLMNA
SCHEMBL14656717 0.73 MAPK1 (0.42) KDM4EMAPK1ALDH1A1KMOLMNA
Butyric Acid SCHEMBL28289188 0.72 MAPK1 (0.49) KDM4EMAPK1ALDH1A1
SCHEMBL1155525 0.72 IDO1 (0.43) KDM4EMAPK1ALDH1A1KMOLMNA

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 4 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-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