SCHEMBL9427451

SCHEMBL9427451

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.53
ALOX5 P09917 2/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
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 4/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36

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
SCHEMBL9259100 0.90 TTPA (0.47) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9313495 0.90 TTPA (0.44) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9427643 0.90 TTPA (0.42) TTPAALOX5KMT2APTGS1PTGS2
SCHEMBL9427829 0.87 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9428287 0.86 PSEN1 (0.54) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9312779 0.86 PSEN1 (0.52) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9251381 0.86 PSEN1 (0.45) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9314876 0.84 TTPA (0.55) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9655667 0.84 KMT2A (0.48) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL9010132 0.84 TTPA (0.56) TTPAALOX5KMT2AMEN1PDE4A

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-5290797-A Benzopyran compounds ADIR ET COMPAGNIE (FR) 1994-03-01 US claimed
US-5290797-A Benzopyran compounds ADIR ET COMPAGNIE (FR) 1994-03-01 US disclosed
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed