SCHEMBL18511710

SCHEMBL18511710

C=C(C)C(=O)OCCOc1cc(OCCOC)cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ EGFR P00533 4/20 0.37
▸ FFAR1 O14842 4/20 0.37
▸ THRB P10828 1/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ CHEK1 O14757 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ AAK1 Q2M2I8 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
SCHEMBL19159161 0.99 NR4A2 (0.38) NR4A2DHODHPOLBAPEX1HTT
SCHEMBL16559830 0.96 POLB (0.41) NR4A2DHODHPOLBAPEX1HTT
SCHEMBL16559845 0.94 POLB (0.40) NR4A2DHODHPOLBAPEX1HTT
SCHEMBL19159050 0.93 NR4A2 (0.40) NR4A2DHODHEGFRFFAR1RARA
SCHEMBL16559831 0.93 POLB (0.39) NR4A2DHODHPOLBAPEX1HTT
SCHEMBL16559834 0.90 POLB (0.45) POLBAPEX1HTTTDP1FFAR1
SCHEMBL18511197 0.89 EGFR (0.40) NR4A2DHODHPOLBAPEX1HTT
SCHEMBL18437009 0.89 EGFR (0.40) NR4A2DHODHPOLBAPEX1HTT
SCHEMBL19159115 0.89 POLB (0.36) POLBAPEX1HTTTDP1THRB
SCHEMBL22353022 0.88 POLB (0.37) POLBAPEX1HTTTDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3839008-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-07-26 — — EP disclosed
EP-3628721-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-03-01 — — EP disclosed
EP-3839008-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2021-06-23 — — EP disclosed
EP-3130650-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-07-04 — — EP disclosed
EP-2985334-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-20 — — EP disclosed
EP-3130650-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-02-15 — — EP disclosed
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