SCHEMBL9257714

SCHEMBL9257714

COc1cc(NC(=S)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.48
ALOX5 P09917 2/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
PSEN1 P49768 4/20 0.40
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL9010322 0.90 TTPA (0.54) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8545725 0.86 PTGS1 (0.48) ALOX5PSEN1PTGS1PTGS2CYP1A2
SCHEMBL9257662 0.85 TTPA (0.48) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9250111 0.84 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9257328 0.83 TTPA (0.45) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9259380 0.83 TTPA (0.47) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312801 0.83 KMT2A (0.49) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9253892 0.81 TTPA (0.50) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9255238 0.81 TTPA (0.50) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9254423 0.81 TTPA (0.47) TTPAALOX5MEN1KMT2APDE4A

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