SCHEMBL8746014

SCHEMBL8746014

CCCCCCCCCCCCCCCCCCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c2c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
PLA2G4B P0C869 1/20 0.43
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
CYP19A1 P11511 4/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
HCAR3 P49019 1/20 0.36

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
SCHEMBL17817211 0.82 ESR1 (0.56) ESR1PLA2G4BTHRATHRBMAPT
SCHEMBL8745995 0.76 ESR1 (0.50) ESR1PLA2G4BTHRATHRBCYP19A1
SCHEMBL8358189 0.74 ESR1 (0.44) ESR1PLA2G4BTHRATHRBCYP19A1
SCHEMBL17817065 0.74 ESR1 (0.50) ESR1PLA2G4BTHRATHRBMAPT
SCHEMBL590156 0.73 GPR35 (0.59) MAPTGPR35
SCHEMBL9322138 0.73 THRA (0.54) ESR1PLA2G4BTHRATHRBCYP19A1
SCHEMBL11511728 0.72 ALDH1A1 (0.46) ESR1PLA2G4BTHRATHRBCYP19A1
SCHEMBL9699807 0.72 ESR1 (0.48) ESR1PLA2G4BTHRATHRBMAPT
SCHEMBL6933094 0.71 ESR1 (0.52) ESR1PLA2G4BTHRATHRBCYP19A1
SCHEMBL2249192 0.71 ESR1 (0.52) ESR1PLA2G4BTHRATHRBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457182-B1 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor BOEHRINGER MANNHEIM GMBH (DE) 1997-02-26 EP disclosed
EP-0461392-B1 Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1996-01-10 EP disclosed
US-5302346-A Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1994-04-12 US disclosed
US-5215924-A Water immiscibility; ionophore; pH indicator which undergoes color change; sensitizer/stabilizer BOEHRINGER MANNHEIM GMBH (DE) 1993-06-01 US disclosed
US-5211914-A TEST CARRIER FOR THE DETERMINATION OF IONS BOEHRINGER MANNHEIM GMBH (DE) 1993-05-18 US disclosed
EP-0461392-A2 Test carrier for the determination of ions Roche Diagnostics GmbH (DE) 1991-12-18 EP disclosed
EP-0457182-A2 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor Roche Diagnostics GmbH (DE) 1991-11-21 EP disclosed