SCHEMBL19867076

SCHEMBL19867076

CCCCC(CC)NC(=O)C(CCC)CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CA2 P00918 6/20 0.50
CA1 P00915 4/20 0.50
MAPK1 P28482 1/20 0.45
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL24124963 0.98 CA2 (0.53) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL21141383 0.90 HDAC7 (0.50) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL25732354 0.88 CA2 (0.66) CA2CA1MAPK1PDFTSHR
SCHEMBL2058687 0.82 CA2 (0.68) CA2CA1MAPK1PDFTSHR
SCHEMBL12790571 0.81 HDAC8 (0.52) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL22304387 0.80 CA2 (0.50) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL21340001 0.79 HDAC8 (0.56) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL1388451 0.79 CA2 (0.44) CA2CA1MAPK1DPP4DPP8
SCHEMBL13715798 0.79 PLA2G2C (0.59) CA2CA1MAPK1PLA2G2C
SCHEMBL1388452 0.79 CA2 (0.48) CA2CA1MAPK1DPP4DPP8

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
EP-3099675-B1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-02-14 EP disclosed