SCHEMBL28113552

SCHEMBL28113552

C=CC(=C(C)C(=O)OCC1CO1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MGLL Q99685 6/20 0.43
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL88384 0.82 ALDH1A1 (0.51) ALDH1A1MGLLTDP1
SCHEMBL3429148 0.80 MGLL (0.48) ALDH1A1MGLLTDP1
SCHEMBL28801665 0.78 ALDH1A1 (0.54) ALDH1A1MGLLTDP1
Benzophenone SCHEMBL11799146 0.77 ALDH1A1 (0.69) ALDH1A1MGLL
SCHEMBL7039423 0.77 ALDH1A1 (0.69) ALDH1A1MGLL
Benzoic Acid SCHEMBL31405528 0.77 ALDH1A1 (0.69) ALDH1A1MGLLTDP1
SCHEMBL4441961 0.76 ALDH1A1 (0.54) ALDH1A1MGLLTDP1
Styrene SCHEMBL19970470 0.76 ALDH1A1 (0.62) ALDH1A1MGLLTDP1
Benzophenone SCHEMBL11795339 0.76 MGLL (0.53) ALDH1A1MGLL
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL28897781 0.76 ALDH1A1 (0.54) ALDH1A1MGLL

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
CN-106147190-A PC/ASA intermingling material that a kind of low gloss high-strength halogen-free is fire-retardant and preparation method thereof 太仓市华鼎塑料有限公司 2016-11-23 CN disclosed