SCHEMBL19721802

SCHEMBL19721802

C=C(C)C(=O)OCCCCc1cc(CCCCOC(=O)CC)cc2c1OC(O)C(c1ccc(OC(=O)C(=C)C)cc1)=C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL18472817 0.98 POLB (0.34) HTTPOLBAPEX1TDP1
SCHEMBL18388199 0.95 POLB (0.36) HTTPOLBAPEX1TDP1TSHR
SCHEMBL21034432 0.93 POLB (0.35) HTTPOLBAPEX1TDP1
SCHEMBL18522765 0.93 POLB (0.35) HTTPOLBAPEX1TDP1
SCHEMBL18473136 0.92 POLB (0.34) HTTPOLBAPEX1TDP1
SCHEMBL19722266 0.86 POLB (0.32) HTTPOLBAPEX1TDP1
SCHEMBL20614308 0.84
SCHEMBL21507736 0.82 POLB (0.36) HTTPOLBAPEX1TDP1TSHR
SCHEMBL22003141 0.81 POLB (0.37) HTTPOLBAPEX1TDP1TSHR
SCHEMBL18647054 0.78 POLB (0.38) HTTPOLBAPEX1TDP1TSHR

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-3029127-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed