SCHEMBL9127262

SCHEMBL9127262

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
ESRRG P62508 2/20 0.44
ESR1 P03372 2/20 0.44
CYP3A4 P08684 2/20 0.44
ESR2 Q92731 2/20 0.44
AR P10275 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44

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
SCHEMBL9125291 0.96 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL9123722 0.87 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL2054628 0.85 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL842249 0.85 NPC1 (0.48) SMN1; SMN2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL9126064 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1MEN1KMT2AHPGD
SCHEMBL9124089 0.84 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL9126223 0.84 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL9123962 0.84 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2AHPGD
SCHEMBL9125836 0.83 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2AHPGD
SCHEMBL9126345 0.83 NPC1 (0.67) SMN1; SMN2MEN1KMT2ANPSR1HPGD

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