SCHEMBL9123733

SCHEMBL9123733

O=C(Nc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.54
ENPP2 Q13822 3/20 0.54
MGLL Q99685 1/20 0.52
MAPT P10636 5/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
PIK3CA P42336 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 2/20 0.51
KDM1A O60341 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL4836408 0.81 ENPP2 (0.71) POLBENPP2MGLLMAPTMAPK1
SCHEMBL145265 0.81 LMNA (0.78) LMNAPOLBMAPTMEN1CYP3A4
SCHEMBL1870929 0.79 POLB (0.71) LMNAPOLBENPP2MGLLMAPT
SCHEMBL9125574 0.79 RAB9A (0.51) LMNAMAPTMEN1CYP3A4HPGD
SCHEMBL655257 0.78 MGLL (0.66) POLBENPP2MGLLMAPTTP53
SCHEMBL9459601 0.78 MGLL (0.66) POLBENPP2MGLLMAPTTP53
SCHEMBL10598558 0.78 POLB (0.69) POLBENPP2MGLLMAPTMEN1
Benzyl Phenylcarbamate SCHEMBL1222943 0.78 POLB (0.78) LMNAPOLBENPP2MGLLMAPT
SCHEMBL10595799 0.78 POLB (0.73) LMNAPOLBENPP2MGLLMAPT
SCHEMBL9315961 0.78 POLB (0.61) POLBENPP2MGLLMAPTMEN1

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