SCHEMBL11445274

SCHEMBL11445274

Cc1ccc(S(=O)(=O)OCC[C@]2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.41
ALOX5 P09917 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4A P27815 1/20 0.36
PDE3A Q14432 1/20 0.36
AR P10275 1/20 0.36
GSTO1 P78417 2/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 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
SCHEMBL11445076 1.00 PSEN1 (0.41) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL11445897 0.89 PSEN1 (0.43) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL6978989 0.89 PSEN1 (0.43) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL4864444 0.86 PSEN1 (0.40) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL11445275 0.85 PSEN1 (0.41) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL10346387 0.85 MEN1 (0.40) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL7843080 0.81 PSEN1 (0.41) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL11445899 0.81 PSEN1 (0.45) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL11445900 0.81 PSEN1 (0.45) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL11705307 0.81 PSEN1 (0.47) PSEN1ALOX5MEN1KMT2APDE4A

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-4191842-A Protected alcohols HOFFMANN-LA ROCHE INC. (US) 1980-03-04 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed