SCHEMBL13780422

SCHEMBL13780422

C=C/C(=C\C=C(/C)O)C(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
FFAR3 O14843 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL12380353 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13776554 0.78 ALDH1A1 (0.41) ALDH1A1TSHRLMNA
SCHEMBL17733136 0.78 ALDH1A1 (0.41) ALDH1A1TSHRLMNA
SCHEMBL20612942 0.75 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL14217557 0.73 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL20901859 0.71 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL19147979 0.69 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL14389008 0.67 FFAR3 (0.35) ALDH1A1FFAR3TDP1
SCHEMBL20820647 0.66 ALDH1A1 (0.50) ALDH1A1TSHRLMNA
Acrylic Acid SCHEMBL10543499 0.64 ALDH1A1 (0.59) ALDH1A1TSHRFFAR3TDP1LMNA

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-2009093718-A2 METHOD OF PRODUCING A PATTERNED BIREFRINGENT PRODUCT AND BIREFRINGENT PRODUCT FUJIFILM CORPORATION (JP) 2009-07-30 WO disclosed