SCHEMBL9126929

SCHEMBL9126929

O=C(Nc1ccc(OCCCCCCOc2ccc(O)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ GAA P10253 2/20 0.59
▸ FAAH O00519 7/20 0.56
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ POLB P06746 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MGLL Q99685 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL7213159 0.89 FAAH (0.72) MAPTGAAFAAHMGLL
SCHEMBL3573967 0.84 MAPT (0.66) MAPTGAAMEN1KMT2APOLB
SCHEMBL117241 0.84 MAPT (0.68) MAPTGAAFAAHMEN1KMT2A
SCHEMBL9126285 0.81 FAAH (0.59) MAPTGAAFAAHMEN1KMT2A
SCHEMBL9126029 0.81 MAPT (0.52) MAPTGAAMEN1KMT2APOLB
SCHEMBL8485548 0.79 PTGS2 (0.65) MAPTGAAMEN1KMT2APOLB
SCHEMBL8776629 0.79 MAPT (0.59) MAPTGAAMEN1KMT2APOLB
SCHEMBL31503058 0.78 MAPT (0.57) MAPTGAAFAAHMEN1KMT2A
SCHEMBL18779728 0.78 MAPT (0.55) MAPTGAAMEN1KMT2APOLB
SCHEMBL95959 0.78 KMT2A (0.57) MAPTGAAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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