SCHEMBL3429148

SCHEMBL3429148

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.48
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.42

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) MGLLALDH1A1TDP1
SCHEMBL28113552 0.80 ALDH1A1 (0.49) MGLLALDH1A1TDP1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL28897781 0.78 ALDH1A1 (0.54) MGLLALDH1A1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.78 NPC1 (0.56) MGLLTDP1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.78 NPC1 (0.56) MGLLTDP1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.78 NPC1 (0.56) MGLLTDP1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL14570069 0.78 NPC1 (0.56) MGLLTDP1
SCHEMBL7039423 0.77 ALDH1A1 (0.69) MGLLALDH1A1
Benzoic Acid SCHEMBL31405528 0.77 ALDH1A1 (0.69) MGLLALDH1A1TDP1
Benzophenone SCHEMBL11799146 0.77 ALDH1A1 (0.69) MGLLALDH1A1

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-20100210801-A1 COPOLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-19 US disclosed