Dimethyl Phthalate

Dimethyl Phthalate

SCHEMBL28585252

COC(=O)c1ccccc1C(=O)OC.O=S(=O)([O-])c1ccccc1.[Na+]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Dimethyl Phthalate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CFTR P13569 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL20791898 0.83 TSHR (0.55) CA1CA2CA9TSHRKMT2A
Methoxymethane SCHEMBL25171845 0.82 KMT2A (0.47) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL27438615 0.82 TSHR (0.71) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL30278536 0.82 TSHR (0.71) CA1CA2CA5ACA9TSHR
SCHEMBL28456499 0.82 CA1 (0.67) CA1CA2CA5ACA9TSHR
SCHEMBL3687720 0.82 ALDH1A1 (0.46) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL27641225 0.81 CA1 (0.63) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL27669677 0.80 KDM4E (0.69) CA1CA2CA5ACA9TSHR
Bicarbonate SCHEMBL11574637 0.80 TSHR (0.50) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL28258660 0.80 TSHR (0.68) CA1CA2CA5ACA9TSHR

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
CN-113061326-A Formaldehyde-proof material for building board 梁景辉 2021-07-02 — — CN claimed
CN-112981592-A Preparation method of formaldehyde-proof material for building board 梁景辉 2021-06-18 — — CN claimed
CN-113061326-A Formaldehyde-proof material for building board 梁景辉 2021-07-02 — — CN disclosed
CN-113061326-A Formaldehyde-proof material for building board 梁景辉 2021-07-02 — — CN disclosed
CN-112981592-A Preparation method of formaldehyde-proof material for building board 梁景辉 2021-06-18 — — CN disclosed
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