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SCHEMBL6345872

SCHEMBL6345872

CCC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1CCSCCc1c(O)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 10/20 0.34
▸ ALOX15 P16050 4/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HMGCR P04035 1/20 0.30

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
SCHEMBL465534 0.95 VCAM1 (0.36) VCAM1ALOX15LMNARECQLPTGS1
SCHEMBL526572 0.80 ALOX5 (0.39) VCAM1GAA
SCHEMBL28425957 0.80 ALOX5 (0.39) VCAM1GAA
SCHEMBL28701034 0.80 ALOX5 (0.39) VCAM1GAA
SCHEMBL29367920 0.80 ALOX5 (0.39) VCAM1GAA
SCHEMBL29096147 0.79 GAA (0.34) VCAM1ALOX15LMNACYP3A4RECQL
SCHEMBL14840002 0.79 PTGS2 (0.41) —
SCHEMBL14840246 0.79 PTGS2 (0.41) —
SCHEMBL30488761 0.77 VCAM1 (0.40) VCAM1ALOX15LMNARECQLGAA
SCHEMBL4424910 0.77 ALOX15 (0.34) VCAM1ALOX15LMNACYP3A4RECQL

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-6974849-B2 Polyacetals with improved resistance to bleach TICONA LLC (US) 2005-12-13 — — US disclosed