SCHEMBL2559255

SCHEMBL2559255

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
KMO O15229 3/20 0.53
HDAC3 O15379 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51
HSD11B1 P28845 1/20 0.49
SRD5A2 P31213 1/20 0.47

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 1.00 TSHR (0.53) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL2558610 0.84 KCNQ3 (0.41) TSHR
SCHEMBL18228782 0.83 TSHR (0.52) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL9222507 0.81 KMO (0.50) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL9015106 0.79 TSHR (0.61) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL9788853 0.79 KMO (0.47) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL5375580 0.78 HDAC3 (0.61) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL5005689 0.78 GSK3B (0.59) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL2562885 0.78 GSK3B (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL29836035 0.78 GSK3B (0.59) TSHRKMOHDAC3HDAC4HDAC1

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