SCHEMBL17772786

SCHEMBL17772786

CC(C)(C)OC(=O)c1cc(OCc2cc(COc3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)cc(OCC=CCCC=CCCC=CCOc3cc(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
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPRF P10586 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ NR4A2 P43354 2/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ NR4A3 Q92570 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAOB P27338 4/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ RXRA P19793 3/20 0.31
▸ NR1H2 P55055 3/20 0.31
▸ NR1H3 Q13133 2/20 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
SCHEMBL25871382 1.00 MEN1 (0.34) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL17772787 0.96 MEN1 (0.36) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL25871391 0.95 HIF1A (0.32) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL17772788 0.95 HIF1A (0.32) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL18658373 0.94 MEN1 (0.32) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL16089768 0.91 SLC7A5 (0.34) MEN1KMT2APTPRCPTPRFPTPN1
SCHEMBL19051890 0.91 SLC7A5 (0.35) SLC7A5ALDH1A1
SCHEMBL19049854 0.87 SLC7A5 (0.37) MEN1KMT2ASLC7A5ALDH1A1GAA
SCHEMBL19049853 0.85 SLC7A5 (0.36) SLC7A5
SCHEMBL24119794 0.84 SLC7A5 (0.31) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067892-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2024-02-29 — — US disclosed
US-20170233668-A1 ASSOCIATIVE POLYMERS TO CONTROL FORMATION OF PARTICULATE MATTER FROM IGNITABLE COMPOSITIONS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-08-17 — — US disclosed
US-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 — — US disclosed
US-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 — — US disclosed
US-20160145397-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2016-05-26 — — US disclosed
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