SCHEMBL28822989

SCHEMBL28822989

CCCCCCCCCCNCCCCCCCCCC.O=C(O)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
PLA2G4B P0C869 1/20 0.59
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.58
TSHR P16473 2/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PTPN7 P35236 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
PSEN1 P49768 4/20 0.49
PSEN2 P49810 4/20 0.49
APH1B Q8WW43 4/20 0.49
NCSTN Q92542 4/20 0.49
APH1A Q96BI3 4/20 0.49
PSENEN Q9NZ42 4/20 0.49
FAAH O00519 6/20 0.49

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
SCHEMBL28524130 1.00 ALOX15 (0.61) ALOX15PLA2G4BPPARAPPARGTSHR
SCHEMBL28822931 1.00 ALOX15 (0.61) ALOX15PLA2G4BPPARAPPARGTSHR
Pentane SCHEMBL8673099 0.85 ALOX15 (0.77) ALOX15PLA2G4BPPARAPPARGTSHR
SCHEMBL27917018 0.83 ALOX15 (0.67) ALOX15PLA2G4BPPARAPPARGTSHR
SCHEMBL12328297 0.83 PPARA (0.70) PLA2G4BPPARAPPARGMEN1ALDH1A1
SCHEMBL12327536 0.83 PPARA (0.70) PLA2G4BPPARAPPARGMEN1ALDH1A1
SCHEMBL10599988 0.82 RECQL (0.77) TSHRRECQLKMT2AZDHHC2
SCHEMBL14112030 0.82 RECQL (0.77) TSHRRECQLKMT2AZDHHC2
SCHEMBL8366672 0.80 RECQL (0.79) TSHRRECQLMEN1KMT2A
Nitrogen SCHEMBL8486432 0.80 DRD2 (0.62) KMT2AFAAH

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
CN-112575188-B Dialkyl amino phenoxyacetic acid extracting agent, preparation method and application thereof 福建省长汀金龙稀土有限公司 2022-08-19 CN disclosed