SCHEMBL23938694

SCHEMBL23938694

CCC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)OC)cc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA9 Q16790 2/20 0.54
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
ACHE P22303 4/20 0.49
BCHE P06276 3/20 0.49
TOP2A P11388 2/20 0.48
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
JAK2 O60674 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL13164751 0.90 CA12 (0.56) FDPSCA12CA1CA2CA4
SCHEMBL13164750 0.90 CA12 (0.56) FDPSCA12CA1CA2CA4
SCHEMBL31580174 0.89 FDPS (0.58) FDPSCA12CA1CA2CA4
SCHEMBL74660 0.88 FDPS (0.51) FDPSCA12CA1CA2CA4
SCHEMBL12918797 0.88 FDPS (0.51) FDPSCA12CA1CA2CA4
SCHEMBL15341049 0.88 FDPS (0.51) FDPSCA12CA1CA2CA4
SCHEMBL9953354 0.88 FDPS (0.53) FDPSCA12CA1CA2CA4
SCHEMBL9953359 0.88 FDPS (0.53) FDPSCA12CA1CA2CA4
SCHEMBL9951742 0.88 FDPS (0.53) FDPSCA12CA1CA2CA4
SCHEMBL1959334 0.88 FDPS (0.53) FDPSCA12CA1CA2CA4

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
EP-3307797-B1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL INC (US) 2021-10-20 EP disclosed