SCHEMBL9386943

SCHEMBL9386943

CCC1OC1CCCCOC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PPM1B O75688 2/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ PPP1CC P36873 2/20 0.36
▸ FKBP1A P62942 1/20 0.33
▸ EPHX1 P07099 1/20 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
SCHEMBL5951083 0.95 TP53 (0.41) TP53CYP3A4PPM1BPTPN1PPP1CC
SCHEMBL10715842 0.81 TP53 (0.47) TP53CYP3A4EPHX1
SCHEMBL1296978 0.80 PPARG (0.43) TP53CYP3A4PPM1BPTPN1PPP1CC
SCHEMBL10645221 0.80 TP53 (0.46) TP53CYP3A4
SCHEMBL5516911 0.79 PPARG (0.46) EPHX1
SCHEMBL5517858 0.79 PPARG (0.46) EPHX1
SCHEMBL1296433 0.79 PPARG (0.46) EPHX1
SCHEMBL5520001 0.79 PPARG (0.46) EPHX1
SCHEMBL5513414 0.79 PPARG (0.46) EPHX1
SCHEMBL5516303 0.79 PPARG (0.46) EPHX1

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
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