SCHEMBL2559795

SCHEMBL2559795

O=CCC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
DPP4 P27487 1/20 0.42
PLA2G7 Q13093 1/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
PIM1 P11309 1/20 0.38
NTSR1 P30989 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
SCHEMBL2555281 0.84 MAOB (0.40) CES2CES1RAB9ANPC1PIM1
SCHEMBL2558610 0.84 KCNQ3 (0.41) KMT2ARAB9ANPC1MEN1KCNQ3
SCHEMBL8281265 0.84 HDAC1 (0.38) CES2CES1DPP4PLA2G7KMT2A
SCHEMBL15329491 0.80 HTT (0.61) KMT2ARAB9AMEN1KCNQ3KCNQ2
SCHEMBL2561194 0.78 NPC1 (0.57) CES2CES1KMT2ARAB9ANPC1
SCHEMBL5253742 0.78 CES2 (0.61) CES2CES1DPP4PLA2G7KMT2A
SCHEMBL30255233 0.78 CES2 (0.61) CES2CES1DPP4PLA2G7KMT2A
SCHEMBL2273688 0.78 CES2 (0.61) CES2CES1DPP4PLA2G7KMT2A
SCHEMBL671907 0.78 CES2 (0.61) CES2CES1DPP4PLA2G7KMT2A
SCHEMBL727030 0.77 CES2 (0.55) CES2CES1KMT2ARAB9A

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