SCHEMBL27924060

SCHEMBL27924060

CC(=O)CC(=O)OCC1OC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ CYP2C19 P33261 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP3A4 P08684 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ MGLL Q99685 2/20 0.34

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
SCHEMBL29010567 0.84 TSHR (0.52) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL5956359 0.84 TSHR (0.71) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL29010566 0.82 TSHR (0.51) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL6860722 0.80 TSHR (0.54) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL6860725 0.80 TSHR (0.54) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL3350751 0.80 TSHR (0.54) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL3350757 0.80 TSHR (0.54) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL6534627 0.79 TSHR (0.53) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL29010564 0.78 TSHR (0.52) TSHRCYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL10507651 0.76 TSHR (0.44) TSHRALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105324165-B processing biomass material 希乐克公司 2017-09-22 — — CN disclosed
CN-106536760-A Processing biomass 希乐克公司 2017-03-22 — — CN disclosed
CN-106488796-A Processing biomass 希乐克公司 2017-03-08 — — CN disclosed
CN-103476764-B Process for producing episulfide compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2016-05-25 — — CN disclosed
CN-105324165-A Processing biomass material XYLECO INC 2016-02-10 — — CN disclosed
CN-103415498-A Benzylidene substituted 2,4-pentanedione compounds and use thereof as stabilizers SYTHEON LTD 2013-11-27 — — CN disclosed
CN-103402963-A Compositions and methods for stabilizing ingredients using 2, 4-pentanedione compounds SYTHEON LTD 2013-11-20 — — CN disclosed
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