SCHEMBL21998280

SCHEMBL21998280

CCCCOC(=O)C1CCCCC1(NC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.33
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.32
FKBP1A P62942 1/20 0.31

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
SCHEMBL26690300 0.83 ALDH1A1 (0.38) EPHX2ALDH1A1EPHX1MAPK1HCAR2
SCHEMBL9537184 0.82 MEN1 (0.40) MEN1KMT2AEPHX2ALDH1A1HCAR2
SCHEMBL11229001 0.75 CYP3A4 (0.37) MEN1KMT2AEPHX2ALDH1A1DPP4
SCHEMBL8781565 0.75 ALDH1A1 (0.40) MEN1KMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL11225149 0.70 NAAA (0.38) EPHX2EPHX1GAAMAPK1HTT
SCHEMBL11229711 0.70 NAAA (0.38) EPHX2EPHX1GAAMAPK1HTT
SCHEMBL11225142 0.70 NAAA (0.38) EPHX2EPHX1GAAMAPK1HTT
SCHEMBL27216297 0.69 CYP3A4 (0.37) MEN1KMT2AEPHX2ALDH1A1DPP4
SCHEMBL21998276 0.69 MEN1 (0.36) MEN1KMT2AEPHX2ALDH1A1EPHX1
SCHEMBL28217615 0.69 CYP4F2 (0.41) EPHX2EPHX1GAAMAPK1HTT

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-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed