SCHEMBL9418432

SCHEMBL9418432

C=C(C)COCC(O)COCC(C)OCC(O)COCC(=C)C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL347663 0.86 KDM4E (0.38) KDM4E
SCHEMBL201963 0.84 KDM4E (0.34) TDP1KDM4E
SCHEMBL18843007 0.83 TDP1 (0.53) TDP1
SCHEMBL10941215 0.82 TDP1 (0.38) TDP1
SCHEMBL29488234 0.82 TDP1 (0.38) TDP1
SCHEMBL18784692 0.82 TDP1 (0.36) TDP1
SCHEMBL32660731 0.80 TDP1 (0.39) TDP1
SCHEMBL7033693 0.80
SCHEMBL651672 0.79 KDM4E (0.32) KDM4E
SCHEMBL5958719 0.78 HSD17B10 (0.38) TDP1KDM4E

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
EP-0289797-B1 Contact lens material KUREHA CHEMICAL IND CO LTD (JP) 1994-11-02 EP disclosed
EP-0289797-A2 Contact lens material KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-09 EP disclosed