SCHEMBL2553855

SCHEMBL2553855

CC(C)CCC(C)(Oc1cccc(C=O)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
UNG P13051 1/20 0.40
SRC P12931 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
FBP1 P09467 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
EPOR P19235 1/20 0.36
PPARG P37231 3/20 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
SCHEMBL2559935 0.87 MAOA (0.43) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL15329910 0.86 SMN1; SMN2 (0.44) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL2556199 0.84 ALDH1A3 (0.41) ALDH1A1KMT2ATDP1PPARGPPARA
SCHEMBL15329664 0.84 SRC (0.43) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL2554985 0.83 PPARG (0.48) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL2556213 0.81 MAOA (0.43) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL2174559 0.77 PPARA (0.51) MAOAMAOBUNGSRCALDH1A1
SCHEMBL3066417 0.74 SRC (0.46) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL2553019 0.74 SMN1; SMN2 (0.45) MAOAMAOBUNGSRCSMN1; SMN2
SCHEMBL2560320 0.73 MAOA (0.47) MAOAMAOBUNGSRCSMN1; SMN2

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