SCHEMBL6645015

SCHEMBL6645015

O=C(OCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.58
HTR2A P28223 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
IDO1 P14902 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
ATM Q13315 1/20 0.53
AKR1C3 P42330 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL37664 0.93 HTR2A (0.62) RAB9AHTR2AIDO1AKR1C3ALDH1A1
SCHEMBL6151831 0.90 RAB9A (0.61) RAB9ANPC1TDP1IDO1CYP1A2
SCHEMBL8716892 0.90 RAB9A (0.61) RAB9ANPC1TDP1IDO1CYP1A2
SCHEMBL1714950 0.88 HTR2A (0.70) RAB9ANPC1HTR2ATDP1CYP2C19
SCHEMBL10639376 0.87 HTR2A (0.54) RAB9AHTR2AIDO1CYP2C19AKR1C3
SCHEMBL1029307 0.86 HTR2A (0.59) RAB9AHTR2AIDO1AKR1C3ALDH1A1
SCHEMBL4725847 0.86 HTR2A (0.59) RAB9AHTR2AIDO1AKR1C3ALDH1A1
SCHEMBL6659912 0.86 ALDH1A1 (0.70) RAB9ANPC1TDP1ALDH1A1HTT
SCHEMBL11688696 0.86 ALDH1A1 (0.70) RAB9ANPC1TDP1ALDH1A1HTT
SCHEMBL6141153 0.85 HTR2A (0.59) RAB9AHTR2AIDO1AKR1C3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154980-B1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GOEDECKE GMBH (DE) 2004-05-26 EP disclosed
US-6740768-B1 REACTING ALKYL OR ARYL ALCOHOL AND HALIDE WITH CARBON DIOXIDE AND CESIUM CARBONATE AT ROOM TEMPERATURE IN DIPOLAR APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-05-25 US disclosed
EP-1154980-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GÖDECKE GMBH (DE) 2001-11-21 EP disclosed
WO-2000047544-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES Gödecke GmbH (DE) 2000-08-17 WO disclosed