SCHEMBL2551052

SCHEMBL2551052

Cc1ccc(C)c(OCC=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 4/20 0.53
CYP2C9 P11712 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C8 P10632 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA1A P35348 1/20 0.46
PPARG P37231 1/20 0.46
HTR2B P41595 1/20 0.46
PPARA Q07869 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.44

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
SCHEMBL2553310 0.85 L3MBTL1 (0.45) LMNATSHRSMN1; SMN2TDP1GAA
SCHEMBL17723954 0.81 ACHE (0.59) HTTLMNACYP2C9SMN1; SMN2TDP1
SCHEMBL9012108 0.81 TSHR (0.58) HTTLMNATSHRCYP2C9SMN1; SMN2
SCHEMBL11610637 0.81 MAPT (0.50) HTTLMNACYP2C9SMN1; SMN2TDP1
SCHEMBL18715363 0.81 ACHE (0.59) HTTLMNATSHRCYP2C9SMN1; SMN2
SCHEMBL7816047 0.81 HPGD (0.51) HTTLMNATSHRCYP2C9SMN1; SMN2
SCHEMBL2092302 0.78 TSHR (0.58) HTTLMNATSHRCYP2C9SMN1; SMN2
SCHEMBL5929495 0.77 TSHR (0.67) HTTLMNATSHRCYP2C9SMN1; SMN2
SCHEMBL28130006 0.76 PPARA (0.44) HTTLMNATSHRCYP2C9SMN1; SMN2
SCHEMBL669777 0.76 NPSR1 (0.51) LMNATSHRTDP1CYP1A2HPGD

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-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-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP 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