SCHEMBL18486831

SCHEMBL18486831

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OC(=O)C(=C)C)c(I)c2)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ XDH P47989 2/20 0.35
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ INPPL1 O15357 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ATM Q13315 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
SCHEMBL16559838 0.88 POLB (0.44) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL24440813 0.87 MAPT (0.42) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL16559840 0.87 POLB (0.40) POLBAPEX1HTTTDP1THRB
SCHEMBL24440871 0.86 POLB (0.43) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL23643324 0.86 HTT (0.40) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL16559829 0.84 POLB (0.47) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL17538614 0.84 POLB (0.43) POLBAPEX1HTTTDP1PPARG
SCHEMBL24440804 0.83 POLB (0.41) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL15338931 0.83 POLB (0.51) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL19158978 0.83 FFAR1 (0.40) POLBAPEX1HTTTDP1CYP11B1

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
US-20170037315-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 — — US disclosed
Send feedback