SCHEMBL7669696

SCHEMBL7669696

C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@@H](Oc2cn(Cc3ccccc3)c(=O)o2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL6761276 1.00 MT-CO2 (0.36) MT-CO2ALOX5HPGDCNR1CNR2
SCHEMBL6760106 0.82 CYP1A2 (0.47) HPGDCYP1A2CYP2D6CYP2C9XBP1
SCHEMBL6762060 0.80 CA1 (0.32) KMT2A
SCHEMBL4683303 0.80 CA1 (0.32) KMT2A
SCHEMBL6762006 0.79 CA1 (0.33) HPGDALDH1A1
SCHEMBL7674283 0.70 ALDH1A1 (0.37) MT-CO2ALOX5KMT2ACHRM2CHRM4
SCHEMBL7668240 0.69 CYP1A2 (0.36) MT-CO2ALOX5HPGDCYP1A2CYP2D6
SCHEMBL22547095 0.69 ALDH1A1 (0.36) MT-CO2ALOX5HPGDCYP2C9CYP2C19
SCHEMBL26263701 0.69 ALDH1A1 (0.39) MT-CO2ALOX5HPGDCYP2C9CYP2C19
SCHEMBL4680991 0.69 HPGD (0.49) HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US claimed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP claimed
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed