SCHEMBL8538258

SCHEMBL8538258

COc1ccc(N2CCN(C(=S)C3(C)CCc4c(C)c(OC(=O)C(C)(C)C)c(C)c(C)c4O3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
AKR1C3 P42330 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 6/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
LDHA P00338 1/20 0.36
GAA P10253 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
SCHEMBL8545535 0.91 HTT (0.45) ALDH1A1HTTKDM4EAKR1C3L3MBTL1
SCHEMBL8544164 0.91 TTPA (0.43) ALDH1A1HTTKDM4EAKR1C3L3MBTL1
SCHEMBL9266621 0.84 CYP3A4 (0.46) ALDH1A1HTTAKR1C3L3MBTL1POLB
SCHEMBL8542945 0.81 TTPA (0.44) ALDH1A1AKR1C3LMNAKMT2AMEN1
SCHEMBL8544229 0.81 TTPA (0.44) ALDH1A1AKR1C3LMNAKMT2AALOX15
SCHEMBL8543302 0.81 TTPA (0.45) KMT2AMEN1GAA
SCHEMBL8543715 0.77 PTGS1 (0.51) ALDH1A1HTTAKR1C3L3MBTL1POLB
SCHEMBL4322635 0.73 GFER (0.42) ALDH1A1HTTAKR1C3L3MBTL1LMNA
SCHEMBL8540281 0.73 TTPA (0.46) KMT2AMEN1
SCHEMBL8539212 0.72 CYP3A4 (0.47) ALDH1A1KDM4EAKR1C3LMNAMAPT

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