SCHEMBL9812697

SCHEMBL9812697

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.67
PTGS2 P35354 2/20 0.54
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
HSPB1 P04792 1/20 0.51
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
PTPRC P08575 3/20 0.49
S100A4 P26447 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CES1 P23141 1/20 0.49
CYP19A1 P11511 5/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
ELANE P08246 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL10933113 0.87 PTGDR2 (0.63) PTGDR2PTGS2POLBRAB9AALDH1A1
SCHEMBL29408235 0.87 PTGDR2 (0.63) PTGDR2PTGS2POLBRAB9AALDH1A1
SCHEMBL10634401 0.85 PTGDR2 (0.55) PTGDR2PTGS2POLBRAB9AHSPB1
SCHEMBL27713776 0.85 HSPB1 (0.66) PTGDR2POLBRAB9AHSPB1MYC
SCHEMBL28845383 0.84 PTGDR2 (0.68) PTGDR2PTGS2POLBRAB9AMYC
SCHEMBL10945758 0.83 MAPT (0.57) PTGDR2POLBRAB9AHSPB1PTPRC
SCHEMBL11096077 0.83 TSHR (0.56) PTGDR2PTGS2RAB9AHSPB1ACHE
SCHEMBL22658163 0.83 PTGDR2 (0.59) PTGDR2PTGS2POLBRAB9AHSPB1
SCHEMBL6391559 0.82 PTGS2 (0.69) PTGDR2PTGS2POLBRAB9AMYC
SCHEMBL28207049 0.82 PTGS2 (0.73) PTGDR2PTGS2POLBRAB9AMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126950-B1 METHOD FOR MAKING AROMATIC ETHERS AND CATALYST USED IN SUCH METHOD GENERAL ELECTRIC COMPANY (US) 1991-07-31 EP disclosed
EP-0260923-A2 Temperature sensing composition MEDICAL INDICATORS (a limited partnership under US law) (US) 1988-03-23 EP disclosed
US-4605745-A PHASE TRANSFER CATALYSTS; AROMATIC ETHERS IN IMPROVED YIELDS GENERAL ELECTRIC COMPANY (US) 1986-08-12 US disclosed
US-4513141-A BY DISPLACING REACTIVE RADICALS ON AROMATIC NUCLEUS GENERAL ELECTRIC COMPANY (US) 1985-04-23 US disclosed
EP-0126950-A2 Method for making aromatic ethers and catalyst used in such method GENERAL ELECTRIC COMPANY (US) 1984-12-05 EP disclosed