SCHEMBL2507583

SCHEMBL2507583

CCCCC(=O)C(=O)c1ccc(OCCCN(CC)CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.55
THRB P10828 2/20 0.55
HRH3 Q9Y5N1 5/20 0.55
BCHE P06276 6/20 0.53
ACHE P22303 5/20 0.53
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49

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
SCHEMBL1283683 0.86 THRB (0.69) THRATHRBHRH3BCHEACHE
SCHEMBL15052502 0.83 THRA (0.58) THRATHRBHRH3BCHEACHE
SCHEMBL1283830 0.82 THRA (0.71) THRATHRBHRH3BCHEACHE
SCHEMBL1283638 0.82 THRA (0.67) THRATHRBHRH3BCHEACHE
SCHEMBL11224024 0.80 THRA (0.77) THRATHRBHRH3ACHEESR1
SCHEMBL5418369 0.80 TP53 (0.64) HRH3BCHEACHEEBPSIGMAR1
SCHEMBL491797 0.80 L3MBTL1 (0.69) HRH3BCHEACHEEBPSIGMAR1
SCHEMBL5424873 0.79 HRH3 (0.61) HRH3BCHEACHEESR1EBP
SCHEMBL492102 0.79 HRH3 (0.61) THRATHRBHRH3BCHEACHE
Hydrochloric Acid SCHEMBL11673412 0.77 HRH3 (0.60) HRH3BCHEACHEESR1EBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed