SCHEMBL7313309

SCHEMBL7313309

O=C(O)CCCC(=O)OC(=O)[C@]1(OCc2ccccc2)CCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.38
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DDB1 Q16531 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
SCHEMBL5635258 0.82 ALDH1A1 (0.42) DDB1CRBN
SCHEMBL11435272 0.81 DDB1 (0.41) MAPK1SLC6A3DDB1CRBNGLA
SCHEMBL8126802 0.80 DDB1 (0.40) MAPK1SLC6A3DDB1CRBNGLA
SCHEMBL6737982 0.80 DDB1 (0.40) MAPK1SLC6A3DDB1CRBNGLA
Hydrochloric Acid SCHEMBL5862748 0.79 DDB1 (0.39) MAPK1SLC6A3DDB1CRBNGLA
SCHEMBL7318423 0.78 ALDH1A1 (0.33)
SCHEMBL376160 0.77 AKT1 (0.36) DDB1CRBN
SCHEMBL9763836 0.76 ALDH1A1 (0.40) HTTMAPK1SLC6A3DDB1CRBN
SCHEMBL21874034 0.72 KMT2A (0.37) HDAC1HDAC2MAPTDDB1CRBN
SCHEMBL8860733 0.72 DDB1 (0.38) DDB1CRBNGLA

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-0115091-A1 N-carboxyacyl derivatives of cyclic amino acids, useful as antihypertensives ENI-Ente Nazionale Idrocarburi (IT) 1984-08-08 EP disclosed