SCHEMBL9427643

SCHEMBL9427643

Cc1cc(C)nc(NC(=O)C2(C)CCc3c(C)c(OC(=O)C(C)(C)C)c(C)c(C)c3O2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PSEN1 P49768 3/20 0.39
ALOX5 P09917 1/20 0.36
BCHE P06276 9/20 0.35
ACHE P22303 9/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9427451 0.90 TTPA (0.53) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313495 0.87 TTPA (0.44) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9427829 0.84 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9428287 0.83 PSEN1 (0.54) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9312779 0.83 PSEN1 (0.52) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9251381 0.83 PSEN1 (0.45) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313766 0.81 PSEN1 (0.45) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9655104 0.81 PSEN1 (0.49) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9427470 0.81 PSEN1 (0.40) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9259100 0.80 TTPA (0.47) TTPAPTGS1PTGS2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290797-A Benzopyran compounds ADIR ET COMPAGNIE (FR) 1994-03-01 US disclosed