SCHEMBL24977872

SCHEMBL24977872

CC(CCN)C(=O)NCCCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.51
RRM1 P23921 1/20 0.50
PRMT1 Q99873 1/20 0.50
DPP7 Q9UHL4 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLG P00747 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
GABRR1 P24046 2/20 0.44
PLA2G2A P14555 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL27267263 1.00 ADRA1A (0.51) ADRA1ARRM1PRMT1DPP7MEN1
SCHEMBL16190294 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190298 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190295 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190292 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190293 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190319 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190320 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL16190317 0.84 ADRA1A (0.51) ADRA1APRMT1PLA2G2AMAPK1FFAR4
SCHEMBL7041257 0.83 FFAR4 (0.60) MEN1ALDH1A1ALOX15KMT2APLA2G2A

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-3080608-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-01 EP disclosed