SCHEMBL8060943

SCHEMBL8060943

C=CN(C=CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
AKT1 P31749 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NFKB1 P19838 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
Acrylic Acid SCHEMBL28186901 0.76 AKT1 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL296620 0.76 ALDH1A1 (0.48) NPSR1TRPM8AKT1KDM4EALDH1A1
SCHEMBL14390570 0.75 HCAR2 (0.46) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL8060921 0.74 ESR1 (0.36) NPSR1AKT1CA2ALDH1A1POLB
SCHEMBL24708669 0.74 MEN1 (0.32) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL27724260 0.73 ALDH1A1 (0.36) NPSR1TRPM8AKT1LMNAALDH1A1
SCHEMBL11806402 0.72 RECQL (0.46) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL11253691 0.72 TRPM8 (0.41) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL8060070 0.70 AKR1C3 (0.44) NPSR1AKT1ALDH1A1POLBKMT2A
Fumaric Acid SCHEMBL21145270 0.70 HCAR2 (0.50) HDAC3TNKSHDAC4HDAC1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6086764-A Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use CROSSWINDS, INC. (US) 2000-07-11 US claimed