SCHEMBL2558610

SCHEMBL2558610

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
TSHR P16473 1/20 0.41
PIK3CA P42336 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SLC2A1 P11166 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31378984 0.84 TSHR (0.53) TSHR
SCHEMBL2559255 0.84 TSHR (0.53) TSHR
SCHEMBL2559795 0.84 CES2 (0.55) KCNQ3KCNQ2NPC1RAB9AMAOA
SCHEMBL27503767 0.80 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1TSHR
SCHEMBL7144096 0.80 GSK3B (0.59) KCNQ3KCNQ2KCNE1KCNQ1TSHR
SCHEMBL8281265 0.79 HDAC1 (0.38) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL2555281 0.79 MAOB (0.40) NPC1RAB9AMAOAMAOB
SCHEMBL11743831 0.79 USP5 (0.49) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL2538090 0.79 TSHR (0.58) KCNQ3KCNQ2KCNE1KCNQ1TSHR
SCHEMBL311275 0.79 GSK3B (0.60) KCNQ3KCNQ2KCNE1KCNQ1TSHR

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