SCHEMBL5137766

SCHEMBL5137766

C=CCOC(=O)CC1=CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
SNCA P37840 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RHOA P61586 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
SCHEMBL10424628 0.88 CYP3A4 (0.38) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL472109 0.87 KMT2A (0.41) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL2052308 0.81 GSTP1 (0.36)
SCHEMBL10527666 0.79 ALDH1A1 (0.38) CYP3A4SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL5181522 0.76 MGAM (0.43) PKMSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL10664514 0.74 GSTP1 (0.33) TSHRALDH1A1
SCHEMBL461106 0.74 CYP3A4 (0.52) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL17386357 0.73 CYP3A4 (0.50) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL6417598 0.73 ALDH1A1 (0.40) TSHRALDH1A1HSD17B10TDP1KDM4E
SCHEMBL16648981 0.71 KMT2A (0.44) PKMSMN1; SMN2TSHRALDH1A1HSD17B10

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-1130054-B1 FLAME RETARDANT RESIN COMPOSITION MITSUI DU PONT POLYCHEMICAL (JP) 2008-06-18 EP claimed
EP-1130054-A1 FLAME RETARDANT RESIN COMPOSITION Du Pont-Mitsui Polychemicals Co., Ltd. (JP) 2001-09-05 EP claimed
EP-1130054-B1 FLAME RETARDANT RESIN COMPOSITION MITSUI DU PONT POLYCHEMICAL (JP) 2008-06-18 EP disclosed
US-6667358-B1 Inorganic material, ethylene-vinyl acetate containing polymer, olefin-unsaturated carboxylic acid copolymer and thermoplastic resin; mechanical strength, abrasion resistance, workability DUPONT-MITSUI POLYCHEMICALS CO. (JP) 2003-12-23 US disclosed
EP-1130054-A1 FLAME RETARDANT RESIN COMPOSITION Du Pont-Mitsui Polychemicals Co., Ltd. (JP) 2001-09-05 EP disclosed