SCHEMBL8959284

SCHEMBL8959284

O=C1C=C2C(=CC(=O)c3ccccc32)c2ccccc21.O=C1C=C2C(=CC(=O)c3ccccc32)c2ccccc21.O=C1C=Cc2c(ccc3c2ccc2ccccc23)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NSD2 O96028 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ HKDC1 Q2TB90 1/20 0.47
▸ CES1 P23141 2/20 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
SCHEMBL4826194 0.88 ALDH1A1 (0.62) PTPN1MEN1ALDH1A1LMNAHPGD
SCHEMBL28569069 0.83 ALDH1A1 (0.54) PTPN1MEN1ALDH1A1LMNAHPGD
SCHEMBL29384620 0.82 CES1 (0.53) PTPN1MEN1ALDH1A1LMNAHPGD
SCHEMBL15235 0.82 CES1 (0.53) PTPN1MEN1ALDH1A1LMNAHPGD
Anthraquinone SCHEMBL11634372 0.81 DNMT1 (0.51) PTPN1MEN1ALDH1A1LMNAHPGD
Methane SCHEMBL25275368 0.80 CES1 (0.51) PTPN1MEN1ALDH1A1LMNAHPGD
SCHEMBL3192410 0.80 ALDH1A1 (0.69) MEN1ALDH1A1LMNAHPGDKMT2A
Water SCHEMBL8525158 0.80 CES1 (0.51) PTPN1MEN1ALDH1A1LMNAHPGD
Lithium SCHEMBL30194812 0.80 CES1 (0.51) PTPN1MEN1ALDH1A1LMNAHPGD
Water SCHEMBL29149519 0.80 CES1 (0.51) PTPN1MEN1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490862-B1 Process for producing n-phosphonomethylglycine MONSANTO CO (US) 1996-01-24 — — EP disclosed
EP-0490862-A1 Process for producing n-phosphonomethylglycine MONSANTO COMPANY (US) 1992-06-17 — — EP disclosed
US-5072033-A N-phosphonomethyl iminodiacetic acid oxidized with peroxide in the presence of cobalt or vandadium salt and quinone or deriv ative MONSANTO COMPANY (US) 1991-12-10 — — US disclosed
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