SCHEMBL8544837

SCHEMBL8544837

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=S)N1CCN(c3ccccc3)CC1)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
CYP1A2 P05177 1/20 0.52
ACHE P22303 9/20 0.43
BCHE P06276 9/20 0.43
MAOB P27338 1/20 0.42
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 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
SCHEMBL8539212 0.90 CYP3A4 (0.47) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8540971 0.90 CYP3A4 (0.47) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9266621 0.88 CYP3A4 (0.46) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8543465 0.85 CYP3A4 (0.45) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8538881 0.85 PTGS1 (0.49) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8543302 0.84 TTPA (0.45) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8538110 0.80 TSHR (0.44) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8538265 0.79 CYP3A4 (0.49) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8543774 0.78 CYP3A4 (0.67) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9689567 0.77 CYP3A4 (0.63) CYP3A4TSHRPTGS1PTGS2CYP1A2

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