SCHEMBL8950693

SCHEMBL8950693

Cc1ccc(S(=O)(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CC[S+](C)C)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
GSTO1 P78417 2/20 0.38
PSEN1 P49768 5/20 0.38
PTPN1 P18031 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
GSTP1 P09211 1/20 0.34
TTPA P49638 1/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1I2 O75469 2/20 0.33

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
SCHEMBL8950708 0.94 MEN1 (0.41) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL9096806 0.86 MEN1 (0.39) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL8950670 0.85 ALOX5 (0.35) CYP2C19
SCHEMBL9567467 0.84 CYP2C19 (0.34) MAPTCYP2C19
SCHEMBL9567442 0.84 AKT1 (0.45)
SCHEMBL10346387 0.81 MEN1 (0.40) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL8746294 0.81 MAPT (0.46) MEN1KMT2AMAPTLMNAGSTP1
SCHEMBL8950690 0.81 MAPT (0.46) MEN1KMT2AMAPTLMNAGSTP1
SCHEMBL10346651 0.80 MEN1 (0.43) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL4864444 0.78 PSEN1 (0.40) MEN1KMT2APDE4APDE3AGSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7025867-A None JP disclosed
US-5484810-A Tissue protective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-16 US disclosed
JP-H0725867-A TISSUE PROTECTIVE TOCOPHEROLANALOG MERRELL DOW PHARMACEUT INC 1995-01-27 JP disclosed
EP-0550292-A1 Tissue protective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1993-07-07 EP disclosed