SCHEMBL7861430

SCHEMBL7861430

O=C(O)/C(=C/C(Cl)(Cl)Cl)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALPL P05186 2/20 0.42
ALPI P09923 2/20 0.42
ALPG P10696 2/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 3/20 0.41
FFAR1 O14842 1/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
AOC2 O75106 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL7861432 1.00 ALOX15 (0.52) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL5014099 0.76 CYP3A4 (0.56) ALOX15KMT2AMEN1ALPLALPI
Chloromethane SCHEMBL27319474 0.72 ALOX15 (0.87) ALOX15KMT2AMEN1SMN1; SMN2FFAR1
SCHEMBL5798917 0.71 ALOX15 (0.49) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL7861422 0.71 GRIK1 (0.32)
SCHEMBL7861419 0.71 GRIK1 (0.32)
SCHEMBL10337909 0.70 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL6906212 0.70 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL6013 0.70 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL1318870 0.69 ALOX15 (1.00) ALOX15KMT2AMEN1ALPLALPI

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
EP-1124786-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA-METHYLENE- BETA-HYDROXY ACIDS Uniroyal Chemical Company, Inc. (US) 2001-08-22 EP claimed
WO-2000027793-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA- METHYLENE- BETA- HYDROXY ACIDS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-05-18 WO claimed
US-6310237-B1 REACTIONS OF ALPHA-UNSATURATED CARBOXY ACIDS, ESTERS, AMIDES OR THIOESTERS WITH OF 1.) A LEWIS ACID OR BASE OR 2.) HYDROGEN AND TRANSITION METALS OR THEIR OXIDES, OR 3.) ALKYL ALUMINUMS, ALKYL HYDRIDES, SOLUBLE NICKEL OR PALLADIUM SALTS UNIROYAL CHEMICAL COMPANY, INC. 2001-10-30 US disclosed
EP-1124786-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA-METHYLENE- BETA-HYDROXY ACIDS Uniroyal Chemical Company, Inc. (US) 2001-08-22 EP disclosed
US-6147251-A PREPARATION OF DERIVATIVES OF HALO-BUT-2-ENOIC ACIDS AND ESTERS HIGH IN 2-ENE CONTENT; CATALYST PROMOTERS IN ETHYLENE POLYMERIZATION AND COPOLYMERIZATION UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-11-14 US disclosed
WO-2000027793-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA- METHYLENE- BETA- HYDROXY ACIDS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-05-18 WO disclosed