SCHEMBL9286687

SCHEMBL9286687

O=C(O)c1cccc2cc(OCO)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.57
▸ NR4A1 P22736 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ NR4A3 Q92570 1/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ CDC25B P30305 4/20 0.47
▸ PTPN7 P35236 1/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.42
▸ P2RY14 Q15391 1/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 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
SCHEMBL6562624 0.86 PTPN7 (0.64) PTPN1NR4A1NR4A2NR4A3MEN1
SCHEMBL344419 0.81 PTPN11 (0.61) PTPN1KMT2A
SCHEMBL2510203 0.81 CDC25B (0.64) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL31613816 0.81 CDC25B (0.64) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL9001552 0.80 PTPN11 (0.63) PTPN1
SCHEMBL7114706 0.78 MAOB (0.53) PTPN1KMT2AKDM4EALDH1A1
SCHEMBL5363597 0.78 PTPN1 (0.47) PTPN1NR4A1NR4A2NR4A3MEN1
SCHEMBL2099558 0.78 PTPN1 (0.57) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL22741861 0.77 PTPN1 (0.55) PTPN1NR4A1NR4A2NR4A3MEN1
SCHEMBL31448244 0.76 PTPN1 (0.54) PTPN1NR4A1NR4A2NR4A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424479-A Reacting aromatic hydroxycarboxylic acids in a mixture with methoxycarboxylic acids with dimethyl sulfate in water CASSELLA AG (DE) 1995-06-13 — — US disclosed
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