SCHEMBL19158978

SCHEMBL19158978

C=C(C)C(=O)OCCOc1cc(OCCOC)ccc1-c1ccc(OC(=O)C(=C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.40
▸ 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 3/20 0.37
▸ RARG P13631 1/20 0.36
▸ FFAR4 Q5NUL3 6/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16559840 0.96 POLB (0.40) FFAR1POLBAPEX1HTTTDP1
SCHEMBL19158316 0.93 POLB (0.42) FFAR1POLBAPEX1HTTTDP1
SCHEMBL17538614 0.93 POLB (0.43) FFAR1POLBAPEX1HTTTDP1
SCHEMBL22023580 0.91 POLB (0.37) FFAR1POLBAPEX1HTTTDP1
SCHEMBL16573113 0.91 POLB (0.45) FFAR1POLBAPEX1HTTTDP1
SCHEMBL20275179 0.90 POLB (0.36) FFAR1POLBAPEX1HTTTDP1
SCHEMBL23350596 0.89 POLB (0.36) FFAR1POLBAPEX1HTTTDP1
SCHEMBL21675468 0.89 POLB (0.36) FFAR1POLBAPEX1HTTTDP1
SCHEMBL24440805 0.88 KDM4E (0.39) POLBAPEX1HTTTDP1RARG
SCHEMBL20275159 0.88 POLB (0.36) FFAR1POLBAPEX1HTTTDP1

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-2848676-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
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