SCHEMBL8942342

SCHEMBL8942342

COC(=O)C(OCCO)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 1/20 0.35
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MIF P14174 1/20 0.33
CA14 Q9ULX7 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
KMT2A Q03164 2/20 0.30
CA12 O43570 1/20 0.30
MME P08473 1/20 0.30
MEN1 O00255 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
SCHEMBL31637531 0.81 SMN1; SMN2 (0.37) SMN1; SMN2TSHRALDH1A1CA1CA2
SCHEMBL28687605 0.79 SMN1; SMN2 (0.36) SMN1; SMN2ACHETSHRALDH1A1CA1
SCHEMBL4373898 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ACHETSHRALDH1A1CA1
SCHEMBL27710499 0.79 GAA (0.38) SMN1; SMN2TSHRALDH1A1CA1CA2
SCHEMBL6919006 0.77 CA1 (0.48) SMN1; SMN2ACHETSHRALDH1A1CA1
SCHEMBL27870068 0.76 CA1 (0.38) SMN1; SMN2ACHEALDH1A1CA1CA2
SCHEMBL16387112 0.76 SMN1; SMN2 (0.33) SMN1; SMN2ACHETSHRALDH1A1CA1
SCHEMBL12141268 0.76 CA1 (0.34) SMN1; SMN2ACHETSHRALDH1A1CA1
SCHEMBL3622175 0.76 ABCB11 (0.35) SMN1; SMN2TSHRALDH1A1CA1CA2
SCHEMBL5792988 0.75 MGAM (0.42) SMN1; SMN2TSHRALDH1A1CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702553-A1 WATER SOLUBLE NON-IMMUNOGENIC POLYAMIDE CROSS-LINKING AGENTS BAXTER INTERNATIONAL INC. (a Delaware corporation) (US) 1996-03-27 EP disclosed
EP-0702553-A4 WATER SOLUBLE NON-IMMUNOGENIC POLYAMIDE CROSS-LINKING AGENTS BAXTER INT (US) 1996-01-19 EP disclosed
WO-1995017886-A1 WATER SOLUBLE NON-IMMUNOGENIC POLYAMIDE CROSS-LINKING AGENTS BAXTER INTERNATIONAL INC. (US) 1995-07-06 WO disclosed
EP-0624099-A1 WATER SOLUBLE NON-IMMUNOGENIC POLYAMIDE CROSS-LINKING AGENTS BAXTER INTERNATIONAL INC. (US) 1994-11-17 EP disclosed
WO-1994012220-A2 WATER SOLUBLE NON-IMMUNOGENIC POLYAMIDE CROSS-LINKING AGENTS BAXTER INTERNATIONAL INC. (US) 1994-06-09 WO disclosed