SCHEMBL8975702

SCHEMBL8975702

CCCC(=O)OCC1OC(=O)OC1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.43
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 1/20 0.32
HSPD1 P10809 1/20 0.32
HSPE1 P61604 1/20 0.32
TST Q16762 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKCA P17252 5/20 0.31

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
SCHEMBL7791235 0.80 NLRP3 (0.38) NLRP3ALDH1A1MAPT
SCHEMBL10071438 0.79 NLRP3 (0.43) NLRP3ALDH1A1LPAR1MAPT
SCHEMBL6354472 0.78
SCHEMBL4204792 0.78
SCHEMBL7868611 0.77 TSHR (0.40) NLRP3ALDH1A1LPAR1
SCHEMBL16659676 0.75 HMGCR (0.33) ALDH1A1MAPT
SCHEMBL7871538 0.74 TSHR (0.37) ALDH1A1
SCHEMBL7871528 0.72 CYP2C19 (0.35) MAPT
SCHEMBL10071457 0.72 NLRP3 (0.43) NLRP3ALDH1A1LPAR1MAPT
SCHEMBL13484191 0.71 MAOA (0.31)

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
US-5569675-A ADMINISTERING TO TREAT BLOOD DISORDERS BAR ILAN UNIVERSITY (IL) 1996-10-29 US disclosed