SCHEMBL7833394

SCHEMBL7833394

CCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NS(=O)(=O)c1ccc(C)cc1)O2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTPA P49638 4/20 0.46
PSEN1 P49768 7/20 0.44
ALOX5 P09917 1/20 0.40
PTPN1 P18031 1/20 0.39
GSTO1 P78417 1/20 0.39
TSHR P16473 2/20 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
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7834472 0.93 TTPA (0.45) TTPAPSEN1ALOX5PTPN1GSTO1
SCHEMBL7825046 0.88 TTPA (0.56) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7839838 0.86 TTPA (0.44) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7838645 0.85 TTPA (0.45) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7836352 0.83 TTPA (0.56) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7836919 0.82 PTGS1 (0.57) TTPATSHRPTGS1PTGS2CYP1A2
SCHEMBL7834764 0.81 TTPA (0.41) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7836231 0.80 TTPA (0.55) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7825923 0.80 TTPA (0.55) TTPAPSEN1ALOX5TSHRPTGS1
SCHEMBL7835312 0.80 TTPA (0.55) TTPAPSEN1ALOX5TSHRPTGS1

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
EP-0844245-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-05-09 EP disclosed
US-5889045-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed
EP-0844245-A1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-27 EP disclosed