SCHEMBL19765254

SCHEMBL19765254

C=CC(=O)OCC(O)COCCOc1ccc(C(C)(C)c2ccc(OCC(C)OCC(O)COC(=O)C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 4/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.39
AR P10275 2/20 0.38
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
POLB P06746 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
SCHEMBL2601986 0.93 HTT (0.47) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL11224844 0.92 MEN1 (0.47) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL13310651 0.89 KMT2A (0.45) MEN1KMT2AHTTHIF1AAR
SCHEMBL12430588 0.89 HTT (0.44) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL22056018 0.88 HTT (0.43) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL25500275 0.87 HIF1A (0.46) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL2605647 0.86 HTT (0.41) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL21699850 0.85 MEN1 (0.36) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL5084116 0.85 THRB (0.52) MEN1KMT2AHTTHIF1ATHRB
SCHEMBL12196922 0.85 HTT (0.50) MEN1KMT2AHTTHIF1ATHRB

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-20180009927-A1 WATER DISPERSION OF GEL PARTICLES, PRODUCING METHOD THEREOF, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2018-01-11 US disclosed