SCHEMBL16089768

SCHEMBL16089768

CC(C)(C)OC(=O)c1cc(CCc2cc(COc3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)cc(OC/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)c2)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPRF P10586 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NR4A2 P43354 2/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ NR4A3 Q92570 1/20 0.33
▸ RXRA P19793 4/20 0.32
▸ NR1H2 P55055 4/20 0.32
▸ LTB4R Q15722 2/20 0.32
▸ LTB4R2 Q9NPC1 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ MRGPRX4 Q96LA9 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL17772787 0.95 MEN1 (0.36) SLC7A5MEN1KMT2APTPRCPTPRF
SCHEMBL18658373 0.93 MEN1 (0.32) SLC7A5MEN1KMT2APTPRCPTPRF
SCHEMBL25871391 0.92 HIF1A (0.32) SLC7A5MEN1KMT2APTPRCPTPRF
SCHEMBL17772788 0.92 HIF1A (0.32) SLC7A5MEN1KMT2APTPRCPTPRF
SCHEMBL25871382 0.91 MEN1 (0.34) SLC7A5MEN1KMT2APTPRCPTPRF
SCHEMBL17772786 0.91 MEN1 (0.34) SLC7A5MEN1KMT2APTPRCPTPRF
SCHEMBL19049853 0.86 SLC7A5 (0.36) SLC7A5
SCHEMBL19049854 0.85 SLC7A5 (0.37) SLC7A5MEN1KMT2AALDH1A1
SCHEMBL24119794 0.83 SLC7A5 (0.31) SLC7A5
SCHEMBL20644705 0.82 PLA2G2A (0.40) SLC7A5MEN1KMT2APTPRCPTPRF

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-20140259887-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-18 — — US disclosed
US-20140259887-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-18 — — US disclosed
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