SCHEMBL7668489

SCHEMBL7668489

CC1CCC(C(C)(C)c2ccccc2)C(OC(=O)C2C(C(C)C)OC(=O)N2C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
NFE2L2 Q16236 1/20 0.32
NPSR1 Q6W5P4 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NTSR1 P30989 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CHRM3 P20309 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
SCHEMBL7694924 1.00 CA1 (0.35) CA1CA2ALDH1A1HPGDNFE2L2
SCHEMBL7666147 0.89 CA1 (0.31) CA1CA2
SCHEMBL7667576 0.89 CA1 (0.31) CA1CA2
SCHEMBL7672028 0.85 FKBP1A (0.30)
SCHEMBL7688435 0.85 FKBP1A (0.30)
SCHEMBL7668240 0.83 CYP1A2 (0.36) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL7670466 0.79 ALDH1A1 (0.47) CA1CA2ALDH1A1HPGDNFE2L2
SCHEMBL7668412 0.77 ALDH1A1 (0.45) CA1CA2ALDH1A1HPGDNFE2L2
SCHEMBL7665883 0.75 HSD11B1 (0.34)
SCHEMBL7673066 0.74 CYP1A2 (0.38) ALDH1A1MEN1KMT2ALMNAMAPK1

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 2 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 disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed