SCHEMBL11268405

SCHEMBL11268405

COC(=O)C1C(C)CC(=O)CC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.51
POLB P06746 1/20 0.50
SLC6A4 P31645 5/20 0.49
ATM Q13315 1/20 0.49
SLC6A2 P23975 3/20 0.48

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
SCHEMBL7668951 0.81 SLC6A3 (0.54) SLC6A3POLBSLC6A4ATMSLC6A2
SCHEMBL11268014 0.80 ALDH1A1 (0.44) POLB
SCHEMBL15196794 0.75 SLC6A3 (0.53) SLC6A3SLC6A4ATMSLC6A2
SCHEMBL22492077 0.75 SLC6A3 (0.53) SLC6A3SLC6A4ATMSLC6A2
SCHEMBL4578892 0.75 ATM (0.48) SLC6A3POLBSLC6A4ATMSLC6A2
SCHEMBL22492074 0.75 SLC6A3 (0.53) SLC6A3SLC6A4ATMSLC6A2
SCHEMBL2504396 0.74 HDAC4 (0.61) SLC6A3SLC6A4ATMSLC6A2
SCHEMBL1223719 0.74 HDAC4 (0.61) SLC6A3SLC6A4ATMSLC6A2
SCHEMBL29451691 0.74 HDAC4 (0.61) SLC6A3SLC6A4ATMSLC6A2
SCHEMBL1223722 0.74 HDAC4 (0.61) SLC6A3SLC6A4ATMSLC6A2

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-0049848-A1 Process for the preparation of 2,6-disubstituted 4-hydroxy-benzoic acids and their esters HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-21 EP disclosed