SCHEMBL616873

SCHEMBL616873

CC(C)C(O)C(C)(C)COC(=O)CCCS

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.30
DGKA P23743 1/20 0.30
CYP1A2 P05177 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
SCHEMBL547289 0.81 ALDH1A1 (0.39) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL28094111 0.78 NAAA (0.34) MAPTLMNATRPA1CYP1A2
SCHEMBL2672095 0.77 DGKA (0.36) MAPTKDM4EDUSP3LMNADGKA
SCHEMBL9324017 0.76 TSHR (0.34) MAPT
SCHEMBL18204233 0.76 ALDH1A1 (0.55) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL18204232 0.76 ALDH1A1 (0.55) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL15412274 0.75 TRPA1 (0.37) LMNATRPA1
SCHEMBL783208 0.73 TRPA1 (0.36) LMNATRPA1
SCHEMBL1665854 0.73 TRPA1 (0.40) LMNATRPA1
SCHEMBL56321 0.73 TRPA1 (0.36) MAPTLMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252403-B2 Adhesive articles with improved air egress AVERY DENNISON CORPORATION (US) 2012-08-28 US disclosed
US-20120040152-A1 ADHESIVE ARTICLES WITH IMPROVED AIR EGRESS AVERY DENNISON CORPORATION (US) 2012-02-16 US disclosed