SCHEMBL21034432

SCHEMBL21034432

C=C(C)C(=O)OCCCc1cc2c(c(CCCOC(=O)C(=C)C)c1)O[C@H](O)C(c1ccc(OC(=O)C(=C)C)cc1)=C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.31

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
SCHEMBL18522765 1.00 POLB (0.35) POLBAPEX1HTTTDP1ELANE
SCHEMBL18388199 0.97 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL18472817 0.95 POLB (0.34) POLBAPEX1HTTTDP1
SCHEMBL18473136 0.94 POLB (0.34) POLBAPEX1HTTTDP1
SCHEMBL19722266 0.93 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL19721802 0.93 HTT (0.35) POLBAPEX1HTTTDP1
SCHEMBL20614308 0.86
SCHEMBL18647054 0.84 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL21507736 0.84 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL22003141 0.84 POLB (0.37) POLBAPEX1HTTTDP1ELANE

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-3489329-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2019-05-29 EP disclosed