SCHEMBL9386154

SCHEMBL9386154

CCC1OC1COC(=O)CCSCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.34
PLA2G4B P0C869 1/20 0.34
TSHR P16473 2/20 0.33
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
NLRP3 Q96P20 1/20 0.31
HTT P42858 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
SCHEMBL259051 0.94 NLRP3 (0.33) LMNAKMT2AHSD17B10TDP1ALDH1A1
SCHEMBL10071457 0.80 NLRP3 (0.43) ALDH1A1MAPTNLRP3
SCHEMBL10071459 0.76 DGKA (0.44) TSHRMAPTNLRP3
SCHEMBL5016265 0.75 LMNA (0.58) LMNAKMT2AHSD17B10TDP1ALDH1A1
SCHEMBL10071451 0.75 NAAA (0.36) ALDH1A1KDM4ENLRP3
SCHEMBL10071463 0.74 DGKA (0.52) LMNAALDH1A1TSHRMAPTNLRP3
SCHEMBL10071479 0.74 NLRP3 (0.33) MAPTNLRP3
SCHEMBL9387162 0.73 LMNA (0.44) LMNAALDH1A1FFAR3HDAC3HDAC1
SCHEMBL10071460 0.73 DGKA (0.55) LMNAKMT2AALDH1A1TSHRMAPT
SCHEMBL10071462 0.73 DGKA (0.55) LMNAKMT2AALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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