Oxirane

Oxirane

SCHEMBL3974726

C1CO1.C=C(C)C(=O)Oc1ccccc1C(C)(C)c1ccccc1OC(=O)C(=C)C

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ELANE P08246 4/20 0.41
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GGT1 P19440 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL29376230 0.92 TDP1 (0.55) ATMTDP1ELANEKMT2ABCHE
SCHEMBL66178 0.92 TDP1 (0.55) ATMTDP1ELANEKMT2ABCHE
Ethylene SCHEMBL11046108 0.91 TDP1 (0.54) ATMTDP1ELANEKMT2ABCHE
SCHEMBL7531230 0.85 TDP1 (0.49) ATMTDP1ELANETP53KMT2A
SCHEMBL10537603 0.83 TDP1 (0.54) ATMTDP1ELANEKMT2ABCHE
SCHEMBL31474595 0.82 TDP1 (0.69) ATMTDP1ELANEBCHEGAA
SCHEMBL33914 0.82 TDP1 (0.69) ATMTDP1ELANEBCHEGAA
Benzil SCHEMBL9334075 0.81 ATM (0.56) ATMTDP1ELANESMN1; SMN2GAA
SCHEMBL30603970 0.78 ATM (0.44) ATMTDP1ELANETP53KMT2A
Hydrochloric Acid SCHEMBL809828 0.78 TDP1 (0.51) ATMTDP1ELANEKMT2ABCHE

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
US-8529789-B2 Curable composition TOKUYAMA CORPORATION (JP) 2013-09-10 US disclosed
EP-1130038-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2009-05-06 EP disclosed
US-20050263745-A1 Method of preparing a ceramic artificial crown and a preparation kit used therefor TOKUYAMA CORPORATION (JP) 2005-12-01 US disclosed
EP-1291388-B1 CURABLE COMPOSITION AND PHOTOCHROMIC CURED ARTICLE TOKUYAMA CORP (JP) 2005-07-13 EP disclosed
US-6698883-B2 COLOR DENSITY AND A LARGE FADING RATE, HARDNESS, HEAT RESISTANCE AND SHOCK RESISTANCE; AS OPTICAL MATERIAL SUCH AS A PHOTOCHROMIC LENS MATERIAL TOKUYAMA CORPORATION (JP) 2004-03-02 US disclosed
EP-1291388-A1 CURABLE COMPOSITION AND PHOTOCHROMIC CURED ARTICLE TOKUYAMA CORPORATION (JP) 2003-03-12 EP disclosed
US-20030008958-A1 Curable composition and photochromic cured article TOKUYAMA CORPORATION (JP) 2003-01-09 US disclosed
EP-1130038-A1 CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-09-05 EP disclosed