SCHEMBL27280779

SCHEMBL27280779

C#CCOC(=O)CCC(=O)OCC#C.O=S(=O)(O)CCBr

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EPHX2 P34913 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL4446043 0.79 GSTP1 (0.53) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL19086174 0.74 GSTP1 (0.56) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL3775783 0.74 GSTP1 (0.56) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL15789438 0.74 CA12 (0.39) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL12769145 0.73 GSTP1 (0.49) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL8430617 0.71 TSHR (0.50) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL21784780 0.71 GSTP1 (0.39) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL27280780 0.71 L3MBTL1 (0.39) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL10011454 0.71 GSTP1 (0.59) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2
SCHEMBL1482992 0.71 GSTP1 (0.65) GSTP1L3MBTL1ALDH1A1TAAR1EPHX2

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-1016000-B SIZING AGENT CHIYODA KENKYUSHO K K (JP) 1992-03-25 CN disclosed
CN-87104680-A SIZING AGENT 1988-12-14 CN disclosed