SCHEMBL5537786

SCHEMBL5537786

CC(=CN)C(=O)O.CCCCC=C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
GRIK1 P39086 1/20 0.45
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ALOX15 P16050 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
CD81 P60033 1/20 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
SCHEMBL5537776 1.00 EP300 (0.46) EP300GRIK1F7F3ALOX15
SCHEMBL6910252 0.90 EP300 (0.54) EP300GRIK1F7F3ALOX15
SCHEMBL22544 0.90 EP300 (0.54) EP300GRIK1F7F3ALOX15
SCHEMBL22546 0.90 EP300 (0.54) EP300GRIK1F7F3ALOX15
SCHEMBL2406221 0.90 EP300 (0.54) EP300GRIK1F7F3ALOX15
SCHEMBL6910247 0.90 EP300 (0.54) EP300GRIK1F7F3ALOX15
Acetic Acid SCHEMBL8865364 0.88 EP300 (0.52) EP300GRIK1F7F3ALOX15
SCHEMBL4963894 0.88 EP300 (0.52) EP300GRIK1F7F3ALOX15
Water SCHEMBL5244061 0.88 EP300 (0.52) EP300GRIK1F7F3ALOX15
Water SCHEMBL5245383 0.88 EP300 (0.52) EP300GRIK1F7F3ALOX15

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-1789025-A2 DEVICE FOR TRANSDERMAL DELIVERY OF ACTIVE PRINCIPLES LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 2007-05-30 EP claimed
WO-2006008320-A2 DEVICE FOR TRANSDERMAL DELIVERY OF ACTIVE PRINCIPLES LABORATORIO ITALIANO BIOCHIMICO FARMACEUTICO LISAPHARMA S.P.A. (IT) 2006-01-26 WO claimed