SCHEMBL9123722

SCHEMBL9123722

CCCOC(=O)Nc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 2/20 0.57
HPGD P15428 6/20 0.51
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 4/20 0.48
CASP1 P29466 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MCL1 Q07820 1/20 0.48
ESR1 P03372 2/20 0.46
TSHR P16473 2/20 0.46
SLC6A2 P23975 2/20 0.46
CHRM1 P11229 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10447891 0.94 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9126064 0.92 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9125869 0.89 NPC1 (0.53) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9126606 0.89 NPC1 (0.53) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9127262 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9125836 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9127236 0.87 HPGD (0.57) SMN1; SMN2ALDH1A1MAPK1HPGDKMT2A
SCHEMBL9125044 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9126581 0.85 NPC1 (0.49) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9126223 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1HPGDTP53

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