SCHEMBL13637810

SCHEMBL13637810

CCC(C)C(=O)CCCOC(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19135755 0.93 CES2 (0.33)
SCHEMBL12446631 0.88
SCHEMBL19827355 0.81
SCHEMBL15043147 0.79 CYP4F2 (0.34) ALDH1A1
SCHEMBL23352149 0.76 CES2 (0.31)
SCHEMBL26412838 0.76 AKR1B1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL13649935 0.74 LTA4H (0.35)
SCHEMBL12796462 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16001862 0.74 FAAH (0.32) ALDH1A1TSHRTDP1
SCHEMBL18377024 0.73 FAAH (0.38)

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-7618448-B2 Polymeric, degradable drug-eluting stents and coatings TEPHA, INC. (US) 2009-11-17 US disclosed