SCHEMBL16632929

SCHEMBL16632929

CC(=O)C(C(=O)O)C(C)(C)C.[Fe]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL52090 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL23495469 0.94 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5TP53
Hydrochloric Acid SCHEMBL27761980 0.94 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL28479123 0.94 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL15455606 0.85 ALDH1A1 (0.32) ALDH1A1TSHR
Acetic Acid SCHEMBL28000260 0.82 FFAR3 (0.44) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL2914550 0.82 ALDH1A1 (0.33) ALDH1A1TSHRFFAR3LCKFYN
SCHEMBL897666 0.82 ALDH1A1 (0.39) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL1080373 0.82 TSHR (0.31) SLC7A5TSHR
Pyridine SCHEMBL28362478 0.80 TSHR (0.36) TSHR

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-20150104575-A1 MULTI-METAL FILMS, ALTERNATING FILM MULTILAYERS, FORMATION METHODS AND DEPOSITION SYSTEM NATIONAL SCIENCE FOUNDATION 2015-04-16 US disclosed