SCHEMBL9128905

SCHEMBL9128905

O=C(Nc1ccc(Oc2ccc(NC(=O)Oc3ccccc3OCc3ccccc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1)Oc1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 7/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL9126984 0.85 MGLL (0.57) C5AR1ALDH1A1TP53MAPTNPC1
SCHEMBL9126479 0.83 MAPT (0.53) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9124477 0.81 PORCN (0.50) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9127249 0.78 KDM4E (0.46) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL9127308 0.77 RAB9A (0.42) C5AR1GAAMEN1KMT2AKDM4E
SCHEMBL9124116 0.76 GSK3B (0.48) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL9124882 0.76 GAA (0.49) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9126424 0.75 BRD4 (0.43) GAAKDM4EALDH1A1TP53MAPT
SCHEMBL9122235 0.74 TNIK (0.50) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9125503 0.73 POLB (0.46) GAAMEN1KMT2AKDM4EALDH1A1

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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