SCHEMBL10780605

SCHEMBL10780605

NC(CO[PH](=O)OCC(N)C1CCCC1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.37
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL90261 0.70 EPHX1 (0.39) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL6219656 0.70 EPHX1 (0.39) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL89990 0.70 EPHX1 (0.39) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4609721 0.69 — —
SCHEMBL672135 0.67 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
Cyclohexane SCHEMBL2492289 0.67 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL8070691 0.67 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL21656667 0.67 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5700121 0.67 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL670619 0.67 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA

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-4661477-A Phosphoric acid monoester salts, process for their preparation, and fungicidal compositions containing them as active ingredient BORSODI VEGYI KOMBINAT 1987-04-28 — — US disclosed
Send feedback