SCHEMBL8458429

SCHEMBL8458429

CC(C)c1ccc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 1/20 0.56
CASP7 P55210 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
XDH P47989 2/20 0.55
STAT3 P40763 1/20 0.53
PTPN1 P18031 1/20 0.51
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SNCA P37840 2/20 0.50
CYP1B1 Q16678 1/20 0.50
CXCL12 P48061 1/20 0.49

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
SCHEMBL29477178 1.00 MAPT (0.56) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL8458428 1.00 MAPT (0.56) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL8972681 0.81 MAPK1 (0.61) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL8972673 0.81 MAPK1 (0.61) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL25198153 0.80 MAPK1 (0.65) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL2997293 0.79 XDH (0.74) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL25201250 0.79 XDH (0.74) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL25195971 0.79 XDH (0.74) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL2997295 0.79 XDH (0.74) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL13816269 0.79 ACE2 (0.61) MAPTTP53SMN1; SMN2TDP1

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
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed