SCHEMBL9250207

SCHEMBL9250207

CCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.47
ALOX5 P09917 1/20 0.38
PTPN1 P18031 1/20 0.37
GSTO1 P78417 1/20 0.37
TTPA P49638 2/20 0.37
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDE4A P27815 1/20 0.33
PDE3A Q14432 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9254414 0.87 PSEN1 (0.41) PSEN1ALOX5TTPALMNAHTT
SCHEMBL9259100 0.86 TTPA (0.47) PSEN1ALOX5TTPAKMT2AMEN1
SCHEMBL9254582 0.83 PSEN1 (0.44) PSEN1ALOX5TTPALMNAHTT
SCHEMBL9255031 0.82 PSEN1 (0.50) PSEN1ALOX5TTPAMAPK1PTGS1
SCHEMBL9250956 0.82 PSEN1 (0.52) PSEN1ALOX5PTPN1GSTO1TTPA
SCHEMBL9258752 0.81 PSEN1 (0.49) PSEN1ALOX5PTPN1GSTO1TTPA
SCHEMBL9250373 0.80 PSEN1 (0.41) PSEN1ALOX5TTPAPTGS1PTGS2
SCHEMBL9258125 0.80 PSEN1 (0.45) PSEN1ALOX5TTPALMNAHTT
SCHEMBL9258133 0.79 PSEN1 (0.36) PSEN1ALOX5TTPALMNAHTT
SCHEMBL8539222 0.78 PSEN1 (0.55) PSEN1ALOX5PTPN1GSTO1TTPA

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