SCHEMBL9166161

SCHEMBL9166161

O=C(O)O[C@H]1CCC[C@H]1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.38
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL906181 1.00 SERPINE1 (0.38) SERPINE1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1069661 1.00 SERPINE1 (0.38) SERPINE1CHRM2CHRM4CHRM1CHRM3
SCHEMBL37491 0.94 SERPINE1 (0.42) SERPINE1ALDH1A1SMN1; SMN2
SCHEMBL166248 0.94 SERPINE1 (0.42) SERPINE1ALDH1A1SMN1; SMN2
SCHEMBL6735892 0.94 SERPINE1 (0.42) SERPINE1ALDH1A1SMN1; SMN2
SCHEMBL7360219 0.88 LMNA (0.31) SERPINE1SMN1; SMN2
SCHEMBL1037894 0.88 LMNA (0.31) SERPINE1SMN1; SMN2
SCHEMBL7763704 0.88 LMNA (0.31) SERPINE1SMN1; SMN2
SCHEMBL2426612 0.87 SERPINE1 (0.31) SERPINE1
Ethylene Glycol SCHEMBL6682467 0.85 SERPINE1 (0.37) SERPINE1

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
EP-0543264-B1 Rewritable thermosensitive recording medium TOPPAN PRINTING CO LTD (JP) 1995-05-03 EP claimed
EP-0334172-A1 Reactive dyes BAYER AG (DE) 1989-09-27 EP disclosed