SCHEMBL8544229

SCHEMBL8544229

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)N1CCN(c3ccc(F)cc3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.44
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
LMNA P02545 2/20 0.39
PSEN1 P49768 4/20 0.38
AKR1C3 P42330 1/20 0.37
ALOX15 P16050 1/20 0.37
LDHA P00338 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8542945 0.91 TTPA (0.44) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8543302 0.91 TTPA (0.45) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8544164 0.90 TTPA (0.43) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8543897 0.87 TTPA (0.42) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8539212 0.85 CYP3A4 (0.47) MEN1KMT2ALMNAAKR1C3ALOX15
SCHEMBL8542195 0.81 TTPA (0.42) TTPAALOX5MEN1KMT2ATSHR
SCHEMBL8542886 0.81 TTPA (0.46) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8538258 0.81 ALDH1A1 (0.41) MEN1KMT2ALMNAAKR1C3ALOX15
SCHEMBL8539159 0.81 TTPA (0.49) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8543923 0.80 TTPA (0.42) TTPAALOX5MEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587499-B1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR (FR) 1998-04-29 EP disclosed
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