SCHEMBL10728889

SCHEMBL10728889

CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OCC)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ PLA2G4B P0C869 1/20 0.61
▸ ESR1 P03372 1/20 0.60
▸ PRSS1 P07477 4/20 0.58
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ KMT2A Q03164 2/20 0.55
▸ PTGER4 P35408 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ NTSR1 P30989 1/20 0.52

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
SCHEMBL7697250 1.00 THRA (0.65) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL2313353 0.89 THRA (0.67) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL27804692 0.88 KMT2A (0.55) THRATHRBPLA2G4BPRSS1MAPT
SCHEMBL6259180 0.88 PRSS1 (0.56) THRATHRBPLA2G4BPRSS1MAPT
SCHEMBL28748738 0.88 THRA (0.65) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL12431954 0.87 PLA2G4B (0.77) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL9626808 0.87 PLA2G4B (0.77) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL7696499 0.87 PLA2G4B (0.77) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL5913195 0.87 KMT2A (0.62) MAPTALDH1A1RAB9ANPC1PKM
Hydrochloric Acid SCHEMBL6259177 0.87 PRSS1 (0.57) THRATHRBPLA2G4BPRSS1MAPT

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
US-4713165-A Sensor having ion-selective electrodes ILEX CORPORATION (US) 1987-12-15 — — US disclosed
EP-0230449-A1 SENSOR HAVING ION-SELECTIVE ELECTRODES EOS TECHNOLOGY CORPORATION (US) 1987-08-05 — — EP disclosed
WO-1987000286-A1 SENSOR HAVING ION-SELECTIVE ELECTRODES ILEX CORPORATION (US) 1987-01-15 — — WO disclosed
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