SCHEMBL26713083

SCHEMBL26713083

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(-c3ccc(OC(=O)CC)cc3)c(CC)c2)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ HIF1A Q16665 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL21891667 0.94 TDP1 (0.41) TDP1POLBAPEX1HTTHIF1A
SCHEMBL22072003 0.94 POLB (0.39) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL24446251 0.90 POLB (0.36) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL25581427 0.90 POLB (0.39) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL26311981 0.89 ELANE (0.36) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL19624269 0.89 HTT (0.42) TDP1POLBAPEX1HTTHIF1A
SCHEMBL19499898 0.87 ELANE (0.39) TDP1POLBAPEX1HTTHIF1A
SCHEMBL17485637 0.86 POLB (0.44) TDP1POLBAPEX1HTTHIF1A
SCHEMBL25118254 0.86 SRD5A2 (0.35) TDP1POLBAPEX1HTTSRD5A2
SCHEMBL17485689 0.86 TDP1 (0.39) TDP1POLBAPEX1HTTHIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208801-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
WO-2023209049-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
WO-2023203043-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 — — WO disclosed
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