Urethane

Urethane

SCHEMBL4555638

CCCCCNC(N)=O.CCOC(N)=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
EPHX1 P07099 7/20 0.48
FAAH O00519 1/20 0.46
ACHE P22303 5/20 0.44
CASP2 P42575 1/20 0.44
DPP7 Q9UHL4 1/20 0.43
TSHR P16473 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42

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
SCHEMBL28947 0.86
SCHEMBL8007143 0.86 EPHX1 (0.62) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL80555 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL292693 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL3055110 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL944633 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL76613 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL19468503 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL2185171 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL19468513 0.84 EPHX1 (0.67) EPHX1CASP2DPP7ZDHHC20ZDHHC2

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
JP-2009221477-A PREPOLYMER BAYER MATERIALSCIENCE AG 2009-10-01 JP disclosed
US-4028310-A REACTING POLYISOCYANATES WITH DIAMINES, COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-07 US disclosed