SCHEMBL9367377

SCHEMBL9367377

CCOC(=O)C(Sc1nc(OC)cc(OC)n1)C1CC(C)CC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX5 P09917 4/20 0.33
PPARG P37231 3/20 0.33
PTGES O14684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 1/20 0.31
PSEN1 P49768 1/20 0.31
PRNP P04156 1/20 0.31

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
SCHEMBL9367380 0.80 ALDH1A1 (0.35) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL9563001 0.78 ALDH1A1 (0.38) ALDH1A1ADORA3ADORA1MAPTPOLB
SCHEMBL9563037 0.78 ALDH1A1 (0.38) ALDH1A1ADORA3ADORA1MAPTPOLB
SCHEMBL9401249 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9401452 0.75
SCHEMBL9563008 0.74 ALDH1A1 (0.35) ALDH1A1ADORA3ADORA1MAPTPOLB
SCHEMBL9563035 0.74 ALDH1A1 (0.35) ALDH1A1ADORA3ADORA1MAPTPOLB
SCHEMBL9563041 0.73 ALDH1A1 (0.34) ALDH1A1ADORA3ADORA1MAPTPOLB
SCHEMBL9563044 0.73 ALOX5 (0.34) ALDH1A1ADORA3ADORA1MAPTPOLB
SCHEMBL9706622 0.72 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347811-B1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-30 EP disclosed
US-5087289-A ALKANOIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-11 US disclosed
US-4968340-A PREEMERGENCE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-06 US disclosed
EP-0347811-A1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-27 EP disclosed