SCHEMBL2559244

SCHEMBL2559244

CC(=O)c1cccc(OC(C)(CC(C)C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.48
KMT2A Q03164 3/20 0.43
NR1H4 Q96RI1 2/20 0.43
MEN1 O00255 1/20 0.43
MAOA P21397 3/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2558100 0.85 MAOB (0.51) MAOBKMT2AMEN1MAOANPC1
SCHEMBL2560609 0.84 L3MBTL1 (0.49) MAOBKMT2AMEN1MAPTCYP1A2
SCHEMBL15330530 0.82 MAOB (0.49) MAOBKMT2AMEN1MAOAMAPT
SCHEMBL2559365 0.82 MAOB (0.49) MAOBKMT2AMEN1MAOAMAPT
SCHEMBL2559935 0.80 MAOA (0.43) MAOBKMT2AMEN1MAOAMAPT
SCHEMBL2559049 0.80 MAOB (0.47) MAOBKMT2AMEN1MAOAMAPT
SCHEMBL5331403 0.78 MAOB (0.53) MAOBKMT2AMEN1MAOAMAPT
SCHEMBL2037979 0.76 KMT2A (0.54) MAOBKMT2AMEN1MAOACYP1A2
SCHEMBL15330389 0.74 MAOB (0.52) MAOBKMT2AMEN1MAOAMAPT
SCHEMBL2557596 0.74 MAOB (0.51) MAOBKMT2AMEN1MAOAMAPT

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