SCHEMBL11206702

SCHEMBL11206702

CCCCCCCCCCCCCCCCCCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
PTGS2 P35354 3/20 0.53
GPR35 Q9HC97 2/20 0.50
CYP3A4 P08684 1/20 0.50
GPR84 Q9NQS5 2/20 0.49
FUT7 Q11130 1/20 0.45

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
SCHEMBL11204852 1.00 ESR1 (0.57) ESR1PTGS2GPR35CYP3A4GPR84
SCHEMBL1861075 1.00 ESR1 (0.57) ESR1PTGS2GPR35CYP3A4GPR84
SCHEMBL8733612 1.00 ESR1 (0.57) ESR1PTGS2GPR35CYP3A4GPR84
SCHEMBL8736399 0.93 GPR35 (0.53) ESR1PTGS2GPR35CYP3A4GPR84
SCHEMBL27859644 0.88 GPR35 (0.51) ESR1PTGS2GPR35CYP3A4GPR84
SCHEMBL11615026 0.87 ERN1 (0.51) ESR1PTGS2
SCHEMBL5078798 0.86 GPR35 (0.57) ESR1GPR35
SCHEMBL27691689 0.85 HPGD (0.51) ESR1GPR35
SCHEMBL27762027 0.84 ESR1 (0.45) ESR1PTGS2GPR35CYP3A4GPR84
SCHEMBL6753680 0.84 ESR1 (0.43) ESR1PTGS2CYP3A4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0074198-A1 Hydrogen ion-selective membranes and electrodes containing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-03-16 EP disclosed