SCHEMBL22003141

SCHEMBL22003141

C=C(C)C(=O)OCCCCc1cc2c(cc1CCCOC(=O)C(=C)C)C=C(c1ccc(OC(=O)C(=C)C)cc1)C(O)O2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.32
ELANE P08246 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL18647054 0.86 POLB (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL18388199 0.85 POLB (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL21507736 0.84 POLB (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL21034432 0.84 POLB (0.35) POLBAPEX1HTTTDP1ELANE
SCHEMBL18522765 0.84 POLB (0.35) POLBAPEX1HTTTDP1ELANE
SCHEMBL18473136 0.82 POLB (0.34) POLBAPEX1HTTTDP1
SCHEMBL19721802 0.81 HTT (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL18472817 0.79 POLB (0.34) POLBAPEX1HTTTDP1
SCHEMBL18522702 0.79 ELANE (0.39) ELANECA2
SCHEMBL18773616 0.79 POLB (0.38) POLBAPEX1HTTTDP1

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
US-20200157427-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-05-21 US disclosed