SCHEMBL21751956

SCHEMBL21751956

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(C)(N)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ PLA2G4A P47712 2/20 0.67
▸ FAAH O00519 1/20 0.67
▸ PLA2G4B P0C869 1/20 0.67
▸ MGLL Q99685 1/20 0.67
▸ PLA2G4C Q9UP65 1/20 0.67
▸ CNR1 P21554 1/20 0.65
▸ KDM4E B2RXH2 3/20 0.60
▸ PPARG P37231 3/20 0.60
▸ PPARD Q03181 2/20 0.60
▸ PPARA Q07869 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HSPD1 P10809 1/20 0.60

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
SCHEMBL21964138 0.90 FAAH (0.65) MAPTBLMFAAHKDM4EPPARG
SCHEMBL22525234 0.85 ALDH1A1 (0.73) ALDH1A1MAPTBLMPLA2G4AFAAH
SCHEMBL20968796 0.81 ALDH1A1 (0.68) ALDH1A1MAPTBLMPLA2G4AFAAH
SCHEMBL3477050 0.81 ALDH1A1 (0.67) ALDH1A1MAPTBLMPLA2G4AFAAH
Arachidonyl Trifluoromethylketone SCHEMBL9880640 0.80 FAAH (1.00) ALDH1A1MAPTBLMPLA2G4AFAAH
Arachidonyl Trifluoromethylketone SCHEMBL30426991 0.80 FAAH (1.00) ALDH1A1MAPTBLMPLA2G4AFAAH
SCHEMBL20968838 0.80 ALDH1A1 (0.67) ALDH1A1MAPTBLMPLA2G4AFAAH
Arachidonamide SCHEMBL6667074 0.79 CNR1 (1.00) ALDH1A1MAPTBLMFAAHCNR1
Arachidonamide SCHEMBL542347 0.79 CNR1 (1.00) ALDH1A1MAPTBLMFAAHCNR1
Arachidonamide SCHEMBL542346 0.79 CNR1 (1.00) ALDH1A1MAPTBLMFAAHCNR1

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
EP-3840769-A1 CYCLOSPORINE COMPOSITIONS AND METHODS OF USE Bacainn Biotherapeutics, Ltd. (KY) 2021-06-30 — — EP disclosed
WO-2020041378-A1 CYCLOSPORINE COMPOSITIONS AND METHODS OF USE BACAINN THERAPEUTICS, INC. (US) 2020-02-27 — — WO disclosed
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