SCHEMBL9744651

SCHEMBL9744651

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMPD1 P17405 1/20 0.31
MAPT P10636 1/20 0.30
ELANE P08246 2/20 0.30
ZDHHC7 Q9NXF8 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
SCHEMBL9803456 0.91 GLS2 (0.34) ALDH1A1SMPD1
SCHEMBL9160196 0.90 FAAH (0.35) ALDH1A1SMPD1MAPTELANEZDHHC7
SCHEMBL9159891 0.90 FAAH (0.35) ALDH1A1SMPD1MAPTELANEZDHHC7
SCHEMBL9128899 0.89 LMNA (0.38) ALDH1A1MAPTELANE
SCHEMBL8985096 0.87 SIGMAR1 (0.34) ALDH1A1
SCHEMBL9745100 0.86
SCHEMBL8985142 0.85 FFAR4 (0.36) ALDH1A1MAPT
SCHEMBL9127903 0.85 ELANE (0.31) ELANE
SCHEMBL9327549 0.83 SMPD1 (0.43) SMPD1
SCHEMBL9325034 0.81 GLS2 (0.35) ALDH1A1SMPD1

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
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0369811-A2 Anti-inflammatory furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed