SCHEMBL8545535

SCHEMBL8545535

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
ALDH1A1 P00352 6/20 0.42
AKR1C3 P42330 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 2/20 0.37
LDHA P00338 1/20 0.37
PSEN1 P49768 2/20 0.37

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
SCHEMBL8538258 0.91 ALDH1A1 (0.41) HTTALDH1A1AKR1C3L3MBTL1KDM4E
SCHEMBL8543715 0.85 PTGS1 (0.51) HTTALDH1A1AKR1C3L3MBTL1LMNA
SCHEMBL4322635 0.82 GFER (0.42) HTTALDH1A1AKR1C3L3MBTL1LMNA
SCHEMBL8544164 0.81 TTPA (0.43) HTTALDH1A1AKR1C3L3MBTL1KDM4E
SCHEMBL8542886 0.80 TTPA (0.46) ALDH1A1LMNAKMT2AMEN1PSEN1
SCHEMBL4322552 0.79 MAPT (0.47) HTTALDH1A1AKR1C3LMNAMAPT
SCHEMBL9266621 0.74 CYP3A4 (0.46) HTTALDH1A1AKR1C3L3MBTL1LMNA
SCHEMBL9690307 0.74 PTGS1 (0.53) HTTALDH1A1AKR1C3KDM4ELMNA
SCHEMBL8543139 0.72 TTPA (0.48) KMT2AMEN1PSEN1
SCHEMBL4311284 0.72 KMT2A (0.43) HTTALDH1A1L3MBTL1KDM4ELMNA

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