SCHEMBL9255581

SCHEMBL9255581

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)NNC(=N)N)O2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.52
ALOX5 P09917 2/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 1/20 0.44
PDE3A Q14432 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PSEN1 P49768 10/20 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
SCHEMBL9655110 0.89 TTPA (0.58) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8538768 0.84 TTPA (0.56) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8537102 0.82 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9259264 0.82 PTGS1 (0.55) TTPAALOX5MEN1KMT2APTGS1
SCHEMBL8544235 0.81 TTPA (0.58) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9249992 0.79 TTPA (0.52) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9256964 0.79 TTPA (0.52) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9256965 0.78 TTPA (0.63) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9247724 0.78 TTPA (0.53) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9250111 0.78 TTPA (0.51) 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