SCHEMBL18658373

SCHEMBL18658373

CC(C)(C)OC(=O)c1cc(OCc2cc(CC/C=C\COc3cc(COc4cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c4)cc(COc4cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c4)c3)cc(COc3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)c2)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPRC P08575 1/20 0.32
▸ PTPRF P10586 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ NR4A3 Q92570 1/20 0.32
▸ RXRA P19793 3/20 0.31
▸ NR1H2 P55055 3/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ GPR52 Q9Y2T5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ LTB4R Q15722 1/20 0.30

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
SCHEMBL25871391 0.99 HIF1A (0.32) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL17772788 0.99 HIF1A (0.32) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL25871382 0.94 MEN1 (0.34) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL17772786 0.94 MEN1 (0.34) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL16089768 0.93 SLC7A5 (0.34) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL17772787 0.93 MEN1 (0.36) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL19049853 0.92 SLC7A5 (0.36) SLC7A5GPR52
SCHEMBL19051890 0.85 SLC7A5 (0.35) SLC7A5ALDH1A1
SCHEMBL19049854 0.83 SLC7A5 (0.37) MEN1KMT2ASLC7A5ALDH1A1
SCHEMBL16089771 0.82 MEN1 (0.48) MEN1KMT2APTPRCPTPRFPTPN1

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-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 — — US disclosed
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