Dimethyl Phthalate

Dimethyl Phthalate

SCHEMBL28758679

CN.COC(=O)c1ccccc1C(=O)OC

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
HSD17B10 Q99714 2/20 0.72
CFTR P13569 1/20 0.72
TSHR P16473 4/20 0.68
LMNA P02545 2/20 0.68
KDM4E B2RXH2 2/20 0.63
POLB P06746 2/20 0.63
ATM Q13315 1/20 0.63
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA5A P35218 1/20 0.62
CA9 Q16790 1/20 0.62
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
SLC6A3 Q01959 4/20 0.55
MYC P01106 1/20 0.55
SLC6A4 P31645 2/20 0.53
GLA P06280 1/20 0.53

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
Dimethyl Phthalate SCHEMBL29669976 0.95 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL29500970 0.95 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL790124 0.95 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL34630 0.95 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL28133190 0.92 TSHR (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL30278536 0.92 TSHR (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL27810205 0.92 TSHR (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL10602130 0.92 TSHR (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL28376050 0.92 TSHR (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL28288614 0.92 TSHR (0.71) ALDH1A1HSD17B10CFTRTSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519518-C Process for preparing dimethyl cyanoiminocarbonate BAYER CROPSCIENCE AG (DE) 2009-07-29 CN disclosed
CN-1787992-A Method for producing dimethyl cyanimidocarbonate BAYER CROPSCIENCE AG (DE) 2006-06-14 CN disclosed