SCHEMBL9124336

SCHEMBL9124336

Cc1ccc(NC(=O)Oc2ccc(Oc3ccc(OC(=O)Nc4ccc(C)cc4C)cc3-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9129140 0.86 GAA (0.49) BCHEACHEKMT2AMEN1ALDH1A1
SCHEMBL9128446 0.85 SMN1; SMN2 (0.44) SMN1; SMN2BCHEACHEKMT2AMEN1
SCHEMBL9123293 0.80 ALDH1A1 (0.41) SMN1; SMN2BCHEACHEKMT2AMEN1
SCHEMBL9124882 0.78 GAA (0.49) SMN1; SMN2BCHEACHEKMT2AMEN1
SCHEMBL9128944 0.76 SMN1; SMN2 (0.49) SMN1; SMN2BCHEACHEKMT2AMEN1
SCHEMBL9124995 0.76 MAPT (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL9128001 0.74 MAPT (0.47) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9127123 0.73 OPRM1 (0.39) SMN1; SMN2ALDH1A1GAAPOLBTP53
SCHEMBL9124991 0.72 KDM4E (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL9124477 0.71 PORCN (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1GAA

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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