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SCHEMBL20195751

SCHEMBL20195751

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCCCCCCOC(O)C=C)ccc5c4)cc3C(=O)CC)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.37
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL816076 0.94 THRA (0.41) THRAHTTMAPTKDM4EPOLB
SCHEMBL9906525 0.94 THRA (0.41) THRAHTTMAPTKDM4EPOLB
SCHEMBL9906523 0.93 THRA (0.39) THRAHTTMAPTKDM4EPOLB
SCHEMBL9906512 0.92 THRA (0.40) THRAHTTMAPTKDM4EPOLB
SCHEMBL9906510 0.91 THRA (0.37) THRAMAPTKDM4EPOLBMAPK1
SCHEMBL815879 0.89 KDM4E (0.36) THRAMAPTKDM4EPOLBMAPK1
SCHEMBL9906515 0.89 THRB (0.41) THRAMAPTKDM4EPOLBMAPK1
SCHEMBL9906538 0.88 TSHR (0.36) THRAHTTMAPTKDM4EPOLB
SCHEMBL9906533 0.88 TSHR (0.36) THRAHTTMAPTKDM4EPOLB
SCHEMBL9906530 0.87 TSHR (0.36) THRAMAPTKDM4EPOLBMAPK1

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-2261201-B1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2018-05-30 — — EP disclosed