Oxirane

Oxirane

SCHEMBL11087690

C1CO1.CCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)c1CCCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
LTB4R Q15722 9/20 0.45
LTB4R2 Q9NPC1 9/20 0.45
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
CNR1 P21554 5/20 0.42
CNR2 P34972 5/20 0.42
PPARA Q07869 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7719965 0.93 MEN1 (0.54) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL1031044 0.86 LTB4R (0.53) LTB4RLTB4R2ALOX5PTGS2CNR1
SCHEMBL10996607 0.83 LTB4R (0.61) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL10992809 0.83 LTB4R (0.61) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
Glyoxylate SCHEMBL11448376 0.82 LTB4R (0.47) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL11002455 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL1741013 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL10581916 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL6855044 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL2169348 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1

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
US-4432989-A αAryl-1H-imidazole-1-ethanols SANDOZ, INC. (US) 1984-02-21 US disclosed
US-4321269-A 1-(3-Halo-1,2-dioxopropyl)-cycloamine compositions and use SANDOZ, INC. (US) 1982-03-23 US disclosed
US-4301158-A FUNGICIDES SANDOZ, INC. (US) 1981-11-17 US disclosed