SCHEMBL9351922

SCHEMBL9351922

CCCCC(CC)COC(=O)Oc1ccccc1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CA2 P00918 1/20 0.54
▸ LMNA P02545 3/20 0.50
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ RECQL P46063 2/20 0.46
▸ TSHR P16473 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ELANE P08246 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL10597454 0.81 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28379897 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30003256 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23271684 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL5189237 0.81 CA2 (0.46) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11170890 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL17720798 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28381116 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9186771 0.79 ELANE (0.52) ALDH1A1CYP3A4LMNATSHRMAPK1
SCHEMBL9352810 0.79 ELANE (0.52) ALDH1A1CYP3A4LMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402339-B1 Improved process for the production of carbonate esters MONSANTO CO (US) 1994-10-05 — — EP disclosed
US-5252770-A Process for the production of carbonate esters MONSANTO COMPANY (US) 1993-10-12 — — US disclosed
EP-0402339-A1 Improved process for the production of carbonate esters MONSANTO COMPANY (US) 1990-12-12 — — EP disclosed
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