SCHEMBL2724649

SCHEMBL2724649

O=C(O)c1cc(C(F)(F)F)c(C(F)(F)F)c(F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 2/20 0.41
▸ NOTUM Q6P988 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ SORT1 Q99523 3/20 0.34
▸ CES2 O00748 2/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ TAS2R14 Q9NYV8 3/20 0.33
▸ CFTR P13569 1/20 0.33
▸ GRIK1 P39086 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ SOS1 Q07889 1/20 0.32

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
SCHEMBL1100670 0.80 ASPH (0.42) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL2726715 0.77 CES2 (0.33) ASPHKDM4EALDH1A1HPGDCES2
SCHEMBL1635186 0.77 ASPH (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL2387492 0.77 ASPH (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL434854 0.77 ALDH1A1 (0.41) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL1098875 0.76 ASPH (0.44) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL29404413 0.76 ASPH (0.44) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL8461190 0.75 ASPH (0.38) ASPHNOTUMKDM4EALDH1A1HPGD
Water SCHEMBL25435119 0.74 ASPH (0.43) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL19585173 0.74 DAO (0.44) ASPHNOTUMKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368194-A1 System and Method for Fluoralkylated Fluorophthalocyanines with Aggregating Properties and Catalytic Driven Pathway for Oxidizing Thiols GORUN SERGIU M (US) 2015-12-24 — — US disclosed
US-20150315137-A1 System and Method for Fluoroalkylated Fluorophthalocyanines With Aggregating Properties and Catalytic Driven Pathway for Oxidizing Thiols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2015-11-05 — — US disclosed
US-20120283430-A1 System and Method for Fluoroalkylated Fluorophthalocyanines With Aggregating Properties and Catalytic Driven Pathway for Oxidizing Thiols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2012-11-08 — — US disclosed
WO-2012061344-A1 SYSTEM AND METHOD FOR FLUOROALKYLATED FLUOROPHTHALOCYANINES WITH AGGREGATING PROPERTIES AND CATALYTIC DRIVEN PATHWAY FOR OXIDIZING THIOLS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2012-05-10 — — WO disclosed
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