SCHEMBL8541237

SCHEMBL8541237

COc1ccc(CN2CCN(C(=S)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.41
CHRM2 P08172 2/20 0.41
OPRK1 P41145 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 6/20 0.39

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
SCHEMBL8543445 0.88 CYP2C19 (0.45) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL8538798 0.86 TSHR (0.42) CYP2C19ACHEMAOBALDH1A1KDM4E
SCHEMBL10346640 0.83 CYP2C19 (0.50) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL10346941 0.77 CYP2C19 (0.53) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL9563644 0.76 CPT1B (0.47) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL9266621 0.75 CYP3A4 (0.46) CYP2C19ACHEALDH1A1HTTCYP1A2
SCHEMBL9563646 0.75 CHRM2 (0.44) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL10346385 0.75 CHRM2 (0.45) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL8543959 0.75 CYP2C9 (0.43) CYP2C19ALDH1A1KDM4ECYP3A4TSHR
SCHEMBL8544837 0.73 CYP3A4 (0.52) ACHEMAOBCYP1A2PTGS1PTGS2

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