SCHEMBL9336390

SCHEMBL9336390

CCOP(=O)(CCC#N)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.60
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HIF1A Q16665 1/20 0.47
ACHE P22303 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NR1I2 O75469 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5488235 0.81 AOX1 (0.70) AOX1LMNAALDH1A1ACHEMEN1
SCHEMBL27925108 0.78 AOX1 (0.66) AOX1LMNAALDH1A1HIF1AACHE
SCHEMBL777194 0.78 AOX1 (0.66) AOX1ACHEMEN1KMT2ANPSR1
SCHEMBL2515116 0.78 AOX1 (0.66) AOX1LMNAALDH1A1ACHEMEN1
SCHEMBL779739 0.77 AOX1 (0.64) AOX1LMNAALDH1A1HIF1AACHE
SCHEMBL28068172 0.75 AOX1 (0.62) AOX1LMNAALDH1A1HIF1AACHE
SCHEMBL1607320 0.75 AOX1 (1.00) AOX1LMNAALDH1A1HIF1AACHE
SCHEMBL9340193 0.75 AOX1 (0.62) AOX1LMNAALDH1A1ACHEMEN1
SCHEMBL28026572 0.75 AOX1 (0.62) AOX1LMNAALDH1A1HIF1AACHE
SCHEMBL28693406 0.75 AOX1 (0.62) AOX1ALDH1A1NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319482-B1 Novel substituted propane phosphinic acid compounds CIBA GEIGY AG (CH) 1994-05-18 EP disclosed
US-5300679-A Antagonists to 4-aminobutyric acid CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed
US-5190933-A Treatment of cognitive and memory disorders CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5064819-A Antidepressants, anxiolytic agents, GABA antagonists CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-5051524-A Treatment of a phosphinic acid with an anhydrous protic medium CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
US-5013863-A Learning enhancement CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0319479-A2 Substituted propane-phosphinic acid compounds CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0319482-A2 Novel substituted propane phosphinic acid compounds CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed