SCHEMBL9254778

SCHEMBL9254778

Cc1cc(NC(=S)C2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 17/20 0.51
ACHE P22303 17/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9312790 0.90 BCHE (0.59) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9250968 0.86 HTT (0.44) BCHEACHEMEN1HTTKMT2A
SCHEMBL9254923 0.86 BCHE (0.54) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL8542430 0.81 PTGS1 (0.57) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9313964 0.80 BCHE (0.49) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9257226 0.80 PTGS1 (0.46) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9256806 0.78 PTGS1 (0.49) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL8538124 0.78 PTGS1 (0.53) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9265028 0.77 PTGS1 (0.51) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9314049 0.77 BCHE (0.62) BCHEACHEPTGS1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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