SCHEMBL8089501

SCHEMBL8089501

CCCCC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GSR P00390 1/20 0.38
CNR2 P34972 1/20 0.37
NAAA Q02083 2/20 0.36
MME P08473 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11743451 0.93 NAAA (0.41) POLBALDH1A1CNR2NAAACES2
SCHEMBL8097138 0.89 AOC3 (0.40) POLBKDM4EALDH1A1GSRCNR2
SCHEMBL5610024 0.82 FOLH1 (0.40) POLBALDH1A1GSRCNR2NPC1
SCHEMBL266714 0.81 LMNA (0.43) POLBKDM4EALDH1A1GSRNPC1
Oxalic Acid SCHEMBL10532850 0.81 ICMT (0.45) ALDH1A1NAAASIGMAR1NPC1OPRM1
Oxalic Acid SCHEMBL10528999 0.80 KCNH2 (0.47) ALDH1A1NAAASIGMAR1NPC1LMNA
SCHEMBL11683306 0.79 POLB (0.41) POLBKDM4EALDH1A1GSRCNR2
SCHEMBL620126 0.79 GSR (0.39) KDM4EALDH1A1GSRCNR2NPC1
SCHEMBL4726274 0.79 TBXAS1 (0.42) ALDH1A1GSRCNR2LMNA
SCHEMBL7996196 0.78 GSR (0.38) POLBKDM4EALDH1A1GSRNPC1

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
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
CN-1028522-C Condensation method of N-phenyl carbamate MITSUI PETROCHEMICAL IND (JP) 1995-05-24 CN disclosed
CN-1050378-A The method of condensing of N-phenylcarbamate MITSUI PETROCHEMICAL IND (JP) 1991-04-03 CN disclosed