SCHEMBL26414871

SCHEMBL26414871

CCC(C)OCCNC(=O)NI

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
EPHX1 P07099 4/20 0.33
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19821963 0.84 EPHX2 (0.39) EPHX2MEN1KMT2ATSHREPHX1
SCHEMBL23072798 0.81 MEN1 (0.36) EPHX2MEN1KMT2ATSHRUSP2
SCHEMBL18949010 0.79 MAPK1 (0.41) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL19821908 0.79 MAPK1 (0.41) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL14176710 0.78 MEN1 (0.48) EPHX2MEN1KMT2ATSHRUSP2
SCHEMBL18949175 0.78 KMT2A (0.44) EPHX2MEN1KMT2ATSHRUSP2
SCHEMBL26418570 0.77 TSHR (0.36) EPHX2MEN1KMT2ATSHREPHX1
SCHEMBL18800449 0.75 MEN1 (0.34) EPHX2MEN1KMT2ATSHRUSP2
SCHEMBL23072801 0.74
SCHEMBL14582983 0.74 ZDHHC20 (0.47) EPHX2MEN1KMT2ATSHRALDH1A1

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
US-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed