SCHEMBL8065631

SCHEMBL8065631

O=C(O)Oc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
MAPK1 P28482 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43

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
SCHEMBL8065636 1.00 POLB (0.51) POLBMAPK1PTGDR2CES2CES1
SCHEMBL8065629 0.89 POLB (0.49) POLBMAPK1PTGDR2CES2CES1
SCHEMBL17796922 0.86 POLB (0.46) POLBMAPK1PTGDR2CES2CES1
SCHEMBL25285573 0.86 ADRA2A (0.47) POLBMAPK1PTGDR2CES2CES1
SCHEMBL8063663 0.84 AKR1C3 (0.53) PTGDR2ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL8063665 0.84 AKR1C3 (0.53) PTGDR2ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL28845383 0.83 PTGDR2 (0.68) POLBMAPK1PTGDR2CES1ALDH1A1
SCHEMBL27737793 0.82 POLB (0.43) POLBMAPK1PTGDR2CES2CES1
SCHEMBL9812692 0.82 ADRA2A (0.50) POLBMAPK1PTGDR2CES1ALDH1A1
SCHEMBL236823 0.81 FABP3 (0.53) MAPK1ALDH1A1LMNAKDM4ESMN1; SMN2

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-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed