SCHEMBL2561680

SCHEMBL2561680

O=Cc1cccc(OC2(C(=O)O)CCSCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
UNG P13051 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2555944 0.93 SRC (0.41) SRCMAOAMAOBUNGNPC1
SCHEMBL2557051 0.87 SRC (0.45) SRCMAOAMAOBUNGNPC1
SCHEMBL2554828 0.86 SRC (0.44) SRCMAOAMAOBUNGNPC1
SCHEMBL2558360 0.86 SRC (0.44) SRCMAOAMAOBUNGNPC1
SCHEMBL2559418 0.86 SRC (0.40) SRCMAOAMAOBUNGNPC1
SCHEMBL2557460 0.85 SRC (0.43) SRCMAOAMAOBUNGNPC1
SCHEMBL2562277 0.83 KMT2A (0.38) KMT2ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL2556961 0.82 SRC (0.40) SRCMAOAMAOBUNGNPC1
SCHEMBL2558581 0.76 TTR (0.39) HPGDALDH1A1
SCHEMBL2553808 0.76 KMT2A (0.37) KMT2ASMN1; SMN2MAPTALDH1A1KDM4E

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