Sugi Predict

Sugi Predict / Compounds / Nitrophenolate

Nitrophenolate

Nitrophenolate

SCHEMBL7601509

CCCCCCCCOCCCCCCCC.O=[N+]([O-])c1ccccc1O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.49
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PLA2G4B P0C869 1/20 0.40

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
SCHEMBL27792815 0.89 ALDH1A1 (0.51) ESR1LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL10387780 0.89 ESR1 (0.50) ESR1LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL10877361 0.88 ALDH1A1 (0.53) ESR1LMNAALDH1A1L3MBTL1KMT2A
Nitrophenolate SCHEMBL15923356 0.87 NPC1 (0.60) LMNAALDH1A1L3MBTL1KMT2AGAA
Nitrophenolate SCHEMBL10432626 0.85 NR5A1 (0.61) ESR1KMT2ATP53TSHRNPC1
Octadecylamine SCHEMBL27468783 0.84 KAT2B (0.47) ESR1LMNAALDH1A1KMT2AGPR35
Nitrophenolate SCHEMBL28083363 0.84 GPR35 (0.44) ESR1LMNAALDH1A1KMT2AGPR35
Nitrophenolate SCHEMBL28573815 0.82 GPR35 (0.55) ALDH1A1L3MBTL1KMT2AGPR35HPGD
Tetrabuthylammonium SCHEMBL28972690 0.82 GPR35 (0.45) ESR1LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL9699807 0.81 ESR1 (0.48) ESR1LMNAALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498572-B1 Electrodes for potentiometric sensors CIBA CORNING DIAGNOSTICS CORP (US) 1998-06-10 — — EP claimed
JP-63221238-A — — None — — JP disclosed
CN-110658243-A Flexible ion detection sensor, preparation method and application 华东师范大学 2020-01-07 — — CN disclosed
EP-0643299-B1 Ion selective electrodes BAYER AG (US) 2002-12-18 — — EP disclosed
US-6416646-B2 USING POLYER BAYER CORPORATION 2002-07-09 — — US disclosed
US-20010032784-A1 Using polyer BAYER CORPORATION 2001-10-25 — — US disclosed
US-6251246-B1 Material for establishing solid state contact for ion selective electrodes BAYER CORPORATION 2001-06-26 — — US disclosed
US-5911862-A LESS PLASTICIZER CHIRON DIAGNOSTICS CORPORATION (US) 1999-06-15 — — US disclosed
US-5897758-A MEASURING ION TEST SAMPLE, INTERNAL REFERENCE ELEMENT, MEMBRANE, FORTIOPHORE NEUTRAL COMPLEXING AGENT, INONOPHORE, PLANAR, COATED WIRE, DURABLE, TWO LAYER DEVICE, BETTER PRECISION, MORE REPRODUCIBLE STANDARD POTENTIALS CHIRON DIAGNOSTICS CORPORATION (US) 1999-04-27 — — US disclosed
US-5804049-A CHARGED ACRYLIC COPOLYMER CHIRON DIAGNOSTICS CORPORATION (US) 1998-09-08 — — US disclosed
EP-0498572-B1 Electrodes for potentiometric sensors CIBA CORNING DIAGNOSTICS CORP (US) 1998-06-10 — — EP disclosed
EP-0643299-A1 Material for establishing solid state contact for ion selective electrodes Ciba Corning Diagnostics Corp. (US) 1995-03-15 — — EP disclosed
EP-0498572-A2 Electrodes for potentiometric sensors Ciba Corning Diagnostics Corp. (US) 1992-08-12 — — EP disclosed
JP-S63221238-A REFERENCE ELECTRODE BODY SHIMADZU CORP 1988-09-14 — — JP disclosed