SCHEMBL10409668

SCHEMBL10409668

C=C(C)COCCc1ccc(C(=O)O)c(C(=O)O)c1CCOCC(=C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL5532017 0.90 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL10544238 0.89 KDM4E (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL11341097 0.87 PPARA (0.35)
SCHEMBL10409680 0.84 KDM4E (0.35) KDM4EALDH1A1HSD17B10
SCHEMBL4843823 0.83 POLB (0.36) KDM4EALDH1A1
SCHEMBL2598254 0.82 FOLH1 (0.43) KDM4EALDH1A1HSD17B10
SCHEMBL5523394 0.81 PDE4A (0.34)
SCHEMBL2237265 0.81 POLB (0.42) KDM4E
SCHEMBL7643044 0.81 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL1957697 0.81 TSHR (0.37) ALDH1A1

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
US-4929746-A ORGANIC ESTERS OF CHLORINE OR BROMINE PHOSPHORUS ACIDS AND BISPHENOL A DIGLYCIDYL DIMETHACRYLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-29 US disclosed
US-4855475-A (Meth)acrylic esters of phosphoric acid ester dihalides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-08 US disclosed
US-4696955-A IN SITU FILLERS FOR TEETH BLENDAX-WERKE R. SCHNEIDER GMBH & CO. (DE) 1987-09-29 US disclosed
US-4670576-A DENTISTRY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-06-02 US disclosed
EP-0193643-A2 Curable resin composition KABUSHIKI KAISHA TOSHIBA (JP) 1986-09-10 EP disclosed
US-4297099-A BY PENETRATION AND CROSSLINKING DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed