SCHEMBL9058729

SCHEMBL9058729

Cc1c(C)c2c(c(C)c1OCOCC[Si](C)(C)C)CCC(C)(C(=O)O)O2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.63
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TTPA P49638 3/20 0.44
ALOX5 P09917 1/20 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
SCHEMBL9257213 0.83 PSEN1 (0.67) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9063840 0.82 PSEN1 (0.41) PSEN1TTPA
SCHEMBL10074168 0.80 PSEN1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1286094 0.77 PTGS1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8994749 0.77 PTGS1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1286095 0.77 PTGS1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL14948954 0.76 PSEN1 (0.67) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16215094 0.76 PSEN1 (0.64) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4592776 0.75 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6597291 0.75 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4

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
WO-1996016957-A1 3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-BENZOPYRAN-6-OL DERIVATIVES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-06-06 WO disclosed