SCHEMBL15095640

SCHEMBL15095640

CCC(C)(C)CC(=O)OCC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.33
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TET2 Q6N021 1/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 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
SCHEMBL130707 0.85 TSHR (0.43) ALDH1A1TSHRLMNAMGAMGAA
SCHEMBL10447420 0.79 GAA (0.50) ALDH1A1LMNAMGAMGAASI
SCHEMBL22115784 0.76 TSHR (0.36) ALDH1A1TSHRGAA
SCHEMBL18753257 0.75 TSHR (0.39) TSHRLMNAMGAMGAASI
SCHEMBL22005680 0.74 TSHR (0.34) ALDH1A1TSHRMGAMGAASI
SCHEMBL15101929 0.74 TET2 (0.35) ALDH1A1TSHRMGAMGAASI
SCHEMBL18350230 0.73 TSHR (0.37) ALDH1A1TSHRLMNAMGAMGAA
SCHEMBL2607778 0.73 TET2 (0.38) ALDH1A1TSHRLMNAMGAMGAA
SCHEMBL4676685 0.73 TSHR (0.46) ALDH1A1TSHRMGAMGAASI
SCHEMBL16638378 0.73 TSHR (0.33) TSHRLMNAMGAMGAASI

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-8481092-B2 Antimicrobial suture for medical use with grapefruit extract, and manufacturing method thereof KOREA INSTITUTE OF CERAMIC ENGINEERING AND TECHNOLOGY (KR) 2013-07-09 US disclosed