SCHEMBL27890002

SCHEMBL27890002

COC(=O)NCC(=O)OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
EPHX2 P34913 2/20 0.40
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NAAA Q02083 2/20 0.37
HTT P42858 2/20 0.36
TET2 Q6N021 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRSS1 P07477 1/20 0.36
TPSAB1 Q15661 1/20 0.36
CYP19A1 P11511 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2159267 0.83 KMT2A (0.49) EPHX1EPHX2APOBEC3AAPOBEC3GGAA
SCHEMBL28524527 0.78 GAA (0.42) EPHX1EPHX2APOBEC3AAPOBEC3GNAAA
SCHEMBL6007931 0.78 KMT2A (0.45) EPHX1EPHX2APOBEC3AAPOBEC3GGAA
SCHEMBL7174165 0.77 EPHX1 (0.37) EPHX1EPHX2APOBEC3AAPOBEC3GNAAA
SCHEMBL8158699 0.77 EPHX1 (0.62) EPHX1EPHX2NAAAHTTTET2
SCHEMBL28574621 0.77
SCHEMBL12335551 0.77 EPHX1 (0.50) EPHX1NAAAHTTGAAALDH1A1
SCHEMBL11186733 0.76 NAAA (0.38) EPHX1APOBEC3AAPOBEC3GNAAAHTT
SCHEMBL22699875 0.76 EPHX1 (0.66) EPHX1EPHX2NAAAHTTTET2
SCHEMBL5283279 0.75 EPHX1 (0.52) EPHX1EPHX2NAAAHTTGAA

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
CN-102712628-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-10-03 CN disclosed
CN-102712623-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-10-03 CN disclosed