SCHEMBL9159891

SCHEMBL9159891

CCCCCCCCCCCCC(OC(=O)CC(=O)OC(CCCCCCCCCCCC)c1coc([Si](CC)(CC)CC)c1)c1coc([Si](CC)(CC)CC)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMPD1 P17405 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
MAPT P10636 1/20 0.31
ELANE P08246 3/20 0.31
NAAA Q02083 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL9160196 1.00 FAAH (0.35) FAAHCNR1CNR2SMPD1ZDHHC7
SCHEMBL9128899 0.92 LMNA (0.38) FAAHCNR1CNR2MAPTELANE
SCHEMBL9744651 0.90 ALDH1A1 (0.32) SMPD1ZDHHC7MAPTELANEALDH1A1
SCHEMBL9803456 0.89 GLS2 (0.34) FAAHSMPD1ALDH1A1
SCHEMBL8985142 0.88 FFAR4 (0.36) MAPTALDH1A1PPARGPPARA
SCHEMBL8985096 0.85 SIGMAR1 (0.34) ALDH1A1
SCHEMBL9745100 0.84
SCHEMBL9127903 0.83 ELANE (0.31) ELANE
SCHEMBL9325309 0.82 LMNA (0.42) MAPTELANEALDH1A1PPARGPPARA
SCHEMBL9327549 0.81 SMPD1 (0.43) SMPD1

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
EP-0637240-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES FOR INHIBITING BONE LOSS ALLERGAN, INC. (US) 1995-02-08 EP disclosed
WO-1993021915-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING BONE LOSS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES ALLERGAN, INC. (US) 1993-11-11 WO disclosed
US-5169963-A Di-(5-hydroxy-2(5H)2-oxo-4-furyl)alkylmethyl-alpha,omega alkanedioates and N,N-bis-(5-hydroxy-2(5H)2-oxo-4-furyl)alkylmethyl-alpha,omega-dialkanoic acid amides as anti-inflammatory agents ALLERGAN, INC. (US) 1992-12-08 US disclosed