SCHEMBL9254414

SCHEMBL9254414

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.41
ALOX5 P09917 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TTPA P49638 2/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
PDE4A P27815 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
SCHEMBL9313495 0.91 TTPA (0.44) PSEN1ALOX5LMNAHTTTTPA
SCHEMBL9259100 0.90 TTPA (0.47) PSEN1ALOX5TTPAPTGS1PTGS2
SCHEMBL9254582 0.89 PSEN1 (0.44) PSEN1ALOX5LMNAHTTTTPA
SCHEMBL9250207 0.87 PSEN1 (0.47) PSEN1ALOX5LMNAHTTTTPA
SCHEMBL9255031 0.86 PSEN1 (0.50) PSEN1ALOX5TTPACHRNB2CHRNB4
SCHEMBL9258125 0.85 PSEN1 (0.45) PSEN1ALOX5LMNAHTTTTPA
SCHEMBL9258133 0.84 PSEN1 (0.36) PSEN1ALOX5LMNAHTTTTPA
SCHEMBL9313627 0.84 MEN1 (0.39) PSEN1ALOX5LMNAHTTTTPA
SCHEMBL9250373 0.84 PSEN1 (0.41) PSEN1ALOX5TTPAPTGS1PTGS2
SCHEMBL9256806 0.82 PTGS1 (0.49) PTGS1PTGS2CYP1A2CYP3A4TSHR

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