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SCHEMBL14701571

SCHEMBL14701571

CC(C)(C)CC(C)(C)C(=O)O[C@H](C(=O)O)[C@H](OC(=O)C(C)(C)CC(C)(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PGD P52209 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
SCHEMBL19851970 1.00 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL19852089 1.00 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL14701569 0.89 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14701568 0.89 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19851978 0.85 — —
SCHEMBL12120675 0.82 — —
SCHEMBL19851975 0.79 CYP4F2 (0.36) —
SCHEMBL19851976 0.79 DGAT1 (0.31) —
SCHEMBL19852090 0.79 DGAT1 (0.31) —
SCHEMBL22348975 0.78 — —

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
WO-2013023003-A1 BIOACTIVE AMPHIPHILIC POLYMER STABILIZED NANOPARTICLES WITH ENHANCED STABILITY AND ACTIVITY RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-02-14 — — WO disclosed