SCHEMBL24607183

SCHEMBL24607183

CNC(=O)NCCCCCCCCOCC(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
EPHX2 P34913 9/20 0.43
TSHR P16473 1/20 0.39
EPHX1 P07099 6/20 0.39
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23945272 0.84 KDM4E (0.53) CYP2C19EPHX2
SCHEMBL21106780 0.84 CYP2C19 (0.41) CYP2C19EPHX2TSHR
SCHEMBL20234764 0.83 CYP2C19 (0.39) CYP2C19EPHX2TSHREPHX1
SCHEMBL22856128 0.81 MEN1 (0.53) CYP2C19EPHX2
SCHEMBL18611819 0.81 CYP2C19 (0.38) CYP2C19EPHX2EPHX1
SCHEMBL23696036 0.80 CYP2C19 (0.38) CYP2C19EPHX2TSHREPHX1
SCHEMBL22790738 0.80 MEN1 (0.52) CYP2C19EPHX2TSHR
SCHEMBL24673615 0.80 CYP2C19 (0.38) CYP2C19EPHX2TSHREPHX1MAPT
SCHEMBL21105474 0.79 KMT2A (0.46) CYP2C19EPHX2TSHRMAPTHSD17B10
SCHEMBL23945685 0.79 SMN1; SMN2 (0.44) CYP2C19EPHX2TSHR

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
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed