SCHEMBL9503538

SCHEMBL9503538

OCCOc1ccc(OCCO)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
S1PR4 O95977 2/20 0.44
PPARG P37231 4/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
PPARA Q07869 5/20 0.42
NR1I2 O75469 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARD Q03181 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13302428 0.84 HTT (0.40) SMN1; SMN2ALDH1A1S1PR4PPARGL3MBTL1
SCHEMBL29450668 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1RECQLCA12CA1
SCHEMBL9451250 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1RECQLCA12CA1
SCHEMBL8653853 0.83 ALDH1A1 (0.50) ALDH1A1RECQLPPARGPPARAFFAR1
SCHEMBL4458527 0.83 PPARA (0.53) PPARGPPARAFFAR1FFAR4PPARD
SCHEMBL4334537 0.82 S1PR4 (0.61) SMN1; SMN2S1PR4L3MBTL1TP53MAPK1
SCHEMBL11094999 0.82 CSNK2A1 (0.42) SMN1; SMN2S1PR4PPARGL3MBTL1PPARA
SCHEMBL11097969 0.82 MAPT (0.46) SMN1; SMN2ALDH1A1PPARGL3MBTL1PPARA
SCHEMBL3787950 0.81 CSNK2A1 (0.62) SMN1; SMN2ALDH1A1S1PR4L3MBTL1TP53
SCHEMBL3785500 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1L3MBTL1TP53MAPK1

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
EP-0408644-B1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1993-07-28 EP disclosed
EP-0408644-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND. EASTMAN KODAK CO (US) 1991-01-23 EP disclosed
WO-1989009761-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1989-10-19 WO disclosed
US-4468510-A FILMS, FIBERS, MOLDING PLASTICS, LOW GAS PERMEABILITY EASTMAN KODAK COMPANY (US) 1984-08-28 US disclosed
EP-0106902-A1 Sulfur-modified polypropylene ether glycols, a method for preparing them, and polyurethanes prepared therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-02 EP disclosed