SCHEMBL6300371

SCHEMBL6300371

CSCCCCCC(=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
HAO1 Q9UJM8 1/20 0.41
MAPK1 P28482 1/20 0.39
SLC13A3 Q8WWT9 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
OR51E2 Q9H255 1/20 0.39
TSHR P16473 4/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL31429799 1.00 FOLH1 (0.41) FOLH1CES2CES1HAO1MAPK1
SCHEMBL20855304 1.00 FOLH1 (0.41) FOLH1CES2CES1HAO1MAPK1
SCHEMBL723055 0.98 FOLH1 (0.42) FOLH1CES2CES1HAO1MAPK1
SCHEMBL720525 0.91 FOLH1 (0.44) FOLH1CES2CES1HAO1MAPK1
SCHEMBL9936985 0.86 TSHR (0.52) FOLH1CES2CES1HAO1MAPK1
SCHEMBL17323034 0.81 TSHR (0.60) FOLH1OR51E2TSHRLMNANFKB1
SCHEMBL4003102 0.81 TSHR (0.60) FOLH1OR51E2TSHRLMNANFKB1
SCHEMBL8064431 0.81 TSHR (0.60) FOLH1OR51E2TSHRLMNANFKB1
SCHEMBL20378734 0.81 TSHR (0.60) FOLH1OR51E2TSHRLMNANFKB1
SCHEMBL849456 0.81 TSHR (0.60) FOLH1OR51E2TSHRLMNANFKB1

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
US-6977297-B1 Methods and means for modification of glucosinolates in plants PLANT BIOSCIENCE LIMITED (GB) 2005-12-20 US disclosed
EP-1032691-A1 METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS Plant Bioscience Limited (GB) 2000-09-06 EP disclosed
WO-1999027120-A1 METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS PLANT BIOSCIENCE LIMITED (GB) 1999-06-03 WO disclosed