SCHEMBL6235942

SCHEMBL6235942

C=C(C)C(=O)C(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CA1 P00915 2/20 0.32
TSHR P16473 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
SCHEMBL6916401 0.89 TDP1 (0.35) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL11697008 0.87 TGFBR1 (0.33) TDP1TGFBR1
SCHEMBL4816778 0.79 TDP1 (0.40) TDP1ALDH1A1CA1TSHR
SCHEMBL27501276 0.75 FFAR3 (0.38) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL6009517 0.75 FFAR3 (0.38) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL2821316 0.74 TP53 (0.38) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL817685 0.74 TP53 (0.38) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL18140092 0.72 TDP1 (0.36) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL27404993 0.72 TDP1 (0.35) TDP1TGFBR1ALDH1A1TP53SLC7A5
SCHEMBL27974225 0.72 SLC7A5 (0.42) TDP1TGFBR1ALDH1A1TP53SLC7A5

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
EP-1088865-B1 Ink composition and ink jet recording method using the same SEIKO EPSON CORP (JP) 2005-05-11 EP claimed