SCHEMBL22451086

SCHEMBL22451086

C=CC(=O)OCCCCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCCC)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.64
▸ THRA P10827 9/20 0.49
▸ TSHR P16473 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ F2 P00734 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ S1PR5 Q9H228 3/20 0.40
▸ S1PR1 P21453 3/20 0.40
▸ S1PR3 Q99500 3/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL16996732 1.00 THRB (0.64) THRBTHRATSHRHPGDMEN1
SCHEMBL1073240 1.00 THRB (0.64) THRBTHRATSHRHPGDMEN1
SCHEMBL13089465 1.00 THRB (0.64) THRBTHRATSHRHPGDMEN1
SCHEMBL1071618 1.00 THRB (0.64) THRBTHRATSHRHPGDMEN1
SCHEMBL25485983 0.97 THRB (0.60) THRBTHRATSHRHPGDMEN1
SCHEMBL16547092 0.97 THRB (0.60) THRBTHRATSHRHPGDMEN1
SCHEMBL25485982 0.97 THRB (0.60) THRBTHRATSHRHPGDMEN1
SCHEMBL16547098 0.97 THRB (0.60) THRBTHRATSHRHPGDMEN1
SCHEMBL13089464 0.94 THRB (0.53) THRBTHRATSHRHPGDMEN1
SCHEMBL17279031 0.94 THRB (0.53) THRBTHRATSHRHPGDMEN1

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-3548586-B1 POLYMERISABLE LC MEDIUM AND POLYMER FILM WITH FLAT OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2020-09-23 — — EP disclosed
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