SCHEMBL28811335

SCHEMBL28811335

C=CC/C=C/C(=O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1049923 0.81 LMNA (0.32) ALDH1A1TSHRTDP1LMNACYP3A4
SCHEMBL7066119 0.78
SCHEMBL28427681 0.77 ALDH1A1 (0.43) ALDH1A1TSHRMAPT
SCHEMBL3987452 0.76 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL12157627 0.75
SCHEMBL5608329 0.75 ALDH1A1 (0.31) ALDH1A1TSHRLMNA
SCHEMBL3984688 0.74
SCHEMBL8166434 0.74
SCHEMBL825979 0.74 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL14152614 0.74 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10TDP1LMNA

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-20240229350-A1 Ink Jet Recording Method SEIKO EPSON CORPORATION (JP) 2024-07-11 US disclosed