SCHEMBL16425307

SCHEMBL16425307

C=CC(=O)OCC1CCC(COC(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
JAK1 P23458 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 2/20 0.44
DRD3 P35462 1/20 0.43
ADRB2 P07550 1/20 0.41

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
SCHEMBL4570312 0.89 HRH3 (0.52) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11843631 0.89 HRH3 (0.52) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16425305 0.85 DRD2 (0.45) DRD2DRD4JMJD6THRBCARM1
SCHEMBL16425299 0.84 CARM1 (0.51) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL4570314 0.83 HRH3 (0.49) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL9326772 0.78 JMJD6 (0.45) HRH3DRD3DRD2DRD4JMJD6
SCHEMBL9326776 0.78 JMJD6 (0.45) HRH3DRD3DRD2DRD4JMJD6
SCHEMBL21688651 0.78 ADRB2 (0.47) KDM4EMAPTMEN1KMT2AHRH3
SCHEMBL16425321 0.78 SCN1A (0.42) MAPTMEN1KMT2ASMN1; SMN2DRD2
SCHEMBL19360458 0.78 HRH3 (0.54) KDM4EMAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed