SCHEMBL16970569

SCHEMBL16970569

COc1cc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)cc1P(=O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ AR P10275 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PDGFRB P09619 1/20 0.34

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
SCHEMBL14754995 0.81 KMT2A (0.62) KMT2AKDM4EMEN1L3MBTL1LMNA
SCHEMBL26088780 0.80 KMT2A (0.50) KMT2ASMN1; SMN2RAB9AGAAMEN1
SCHEMBL4321300 0.75 NFE2L2 (0.53) NFE2L2SMN1; SMN2RAB9AGAAKDM4E
SCHEMBL779999 0.72 CES2 (0.39) RAB9ALMNAALDH1A1NPC1
SCHEMBL9927352 0.72 CES2 (0.39) RAB9ALMNAALDH1A1NPC1
SCHEMBL14259711 0.69 KMT2A (0.60) KMT2ASMN1; SMN2MEN1L3MBTL1LMNA
SCHEMBL14339301 0.69 KMT2A (0.51) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL7615988 0.69 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EMEN1L3MBTL1
SCHEMBL11991140 0.68 BCL2L1 (0.46) SMN1; SMN2RAB9AKDM4EMAOBLMNA
Hydrogen Peroxide SCHEMBL8672187 0.68 BCL2L1 (0.46) KMT2ARAB9AMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150221982-A1 HIGH VOLTAGE REDOX SHUTTLES, METHOD FOR MAKING HIGH VOLTAGE REDOX SHUTTLES UCHICAGO ARGONNE, LLC (US) 2015-08-06 — — US claimed
US-10008743-B2 High voltage redox shuttles, method for making high voltage redox shuttles UCHICAGO ARGONNE, LLC (US) 2018-06-26 — — US disclosed
US-20150221982-A1 HIGH VOLTAGE REDOX SHUTTLES, METHOD FOR MAKING HIGH VOLTAGE REDOX SHUTTLES UCHICAGO ARGONNE, LLC (US) 2015-08-06 — — US disclosed
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