SCHEMBL9258752

SCHEMBL9258752

CCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1c(C)cccc1C)O2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.49
ALOX5 P09917 1/20 0.40
PTPN1 P18031 1/20 0.39
GSTO1 P78417 1/20 0.39
TTPA P49638 2/20 0.39
BCHE P06276 8/20 0.36
ACHE P22303 8/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9250956 0.89 PSEN1 (0.52) PSEN1ALOX5PTPN1GSTO1TTPA
SCHEMBL9253856 0.85 TTPA (0.50) PSEN1ALOX5TTPABCHEACHE
SCHEMBL9250207 0.81 PSEN1 (0.47) PSEN1ALOX5PTPN1GSTO1TTPA
SCHEMBL8539222 0.81 PSEN1 (0.55) PSEN1ALOX5PTPN1GSTO1TTPA
SCHEMBL8537690 0.77 PTGS1 (0.53) BCHEACHEPTGS1PTGS2
SCHEMBL9255238 0.76 TTPA (0.50) PSEN1ALOX5TTPABCHEACHE
SCHEMBL9250008 0.75 TTPA (0.56) PSEN1ALOX5TTPABCHEACHE
SCHEMBL9250111 0.73 TTPA (0.51) PSEN1ALOX5TTPABCHEACHE
SCHEMBL8420875 0.72 PSEN1 (0.65) PSEN1ALOX5PTPN1GSTO1TTPA
SCHEMBL16247652 0.72 PSEN1 (0.56) PSEN1PTPN1GSTO1TTPABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395834-A Antiarthritic agents or cardiovascular disorders ADIR ET COMPAGNIE (FR) 1995-03-07 US disclosed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US disclosed
EP-0587499-A1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR ET COMPAGNIE (FR) 1994-03-16 EP disclosed