SCHEMBL9387162

SCHEMBL9387162

CCCC1OC1COC(=O)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NLRP3 Q96P20 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
PAM P19021 2/20 0.35
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
TLR4 O00206 2/20 0.33

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
SCHEMBL258873 0.93 NLRP3 (0.39) LMNAALDH1A1NLRP3MAPTTLR4
SCHEMBL7938425 0.85 DGKA (0.47) LMNAALDH1A1NLRP3PAMMAPT
SCHEMBL11762251 0.83 TLR4 (0.41) NLRP3PAMTLR4
SCHEMBL9653338 0.83 NLRP3 (0.33) NLRP3
SCHEMBL1374575 0.80 TLR4 (0.42) NLRP3PAMTLR4
SCHEMBL11576115 0.78 FFAR3 (0.46) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL10071457 0.77 NLRP3 (0.43) ALDH1A1NLRP3MAPTTLR4
SCHEMBL1471700 0.75 DGKA (0.53) LMNAALDH1A1NLRP3PAMMAPT
SCHEMBL11129832 0.74 HTR2C (0.50) ALDH1A1PAM
SCHEMBL23848928 0.73 TLR4 (0.48) NLRP3TLR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133296-A Moisture-resistant PBO fiber and articles, and method of making HONEYWELL INT INC (US) 2008-02-27 CN disclosed
WO-1994004582-A1 NOVEL EPOXY RESIN CURE CATALYST S/S PERFORMANCE PRODUCTS, INC. (US) 1994-03-03 WO disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 US disclosed