SCHEMBL28769441

SCHEMBL28769441

O=C(O)CC(O)CCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.49
▸ CASP1 P29466 2/20 0.48
▸ MMP12 P39900 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LPAR1 Q92633 3/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ GPR84 Q9NQS5 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL4747934 0.89 TRPA1 (0.51) TRPA1TRPV1ALDH1A1MAPK1L3MBTL1
SCHEMBL667948 0.89 TRPA1 (0.51) TRPA1TRPV1ALDH1A1MAPK1L3MBTL1
SCHEMBL4681277 0.87 ALDH1A1 (0.51) TRPA1TRPV1CASP1ALDH1A1MAPK1
SCHEMBL20158524 0.85 ALDH1A1 (0.53) CASP1ALDH1A1MAPK1L3MBTL1LPAR1
SCHEMBL293781 0.85 MEN1 (0.56) ALDH1A1MEN1HPGDKMT2A
SCHEMBL19526512 0.85 MEN1 (0.56) ALDH1A1MEN1HPGDKMT2A
SCHEMBL11851583 0.85 TRPA1 (0.45) TRPA1TRPV1ALDH1A1MAPK1L3MBTL1
SCHEMBL15028038 0.84 ALDH1A1 (0.45) TRPA1TRPV1ALDH1A1MAPK1L3MBTL1
SCHEMBL20624816 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2MEN1
SCHEMBL2926392 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105754966-A Mutants of PHA synthase derived from Pseudomonas sp.6-19 and method for producing lactate homopolymer or copolymer using the same LG化学株式会社 2016-07-13 — — CN disclosed
CN-101184843-A Cell or plant having polylactic acid ester or copolymer thereof producing ability and method for producing polylactic acid ester or copolymer thereof LG CHEMICAL LTD (KR) 2008-05-21 — — CN disclosed
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