SCHEMBL21387331

SCHEMBL21387331

Cc1cc(C(C)c2ccc(OC(C)(C)C)c(C)c2)ccc1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP3A4 P08684 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL14040042 0.89 CYP1A2 (0.41) MAPTKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL14125308 0.86 KMT2A (0.48) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL14137283 0.85 KMT2A (0.43) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL12045003 0.83 MAPT (0.48) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL18831745 0.83 ALDH1A1 (0.35) MAPTKMT2AALDH1A1CYP3A4ELANE
SCHEMBL21253990 0.83 ACHE (0.37) KMT2ATDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL13191290 0.80 TAS1R3 (0.33) MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL20429147 0.77 KMT2A (0.43) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL12015968 0.75 PPARA (0.49) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL19797769 0.75 MAPT (0.55) MAPTKMT2AMEN1TDP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543276-A1 POLYARYLATE RESIN AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER Kyocera Document Solutions Inc. (JP) 2019-09-25 EP disclosed