SCHEMBL28630486

SCHEMBL28630486

Cc1ccc(NOCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
PLEC Q15149 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1401823 0.83 APP (0.46) ALDH1A1HPGDTHRBALOX15CASP1
SCHEMBL6131910 0.81 CA2 (0.38) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL33691 0.79 MAPT (0.39) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL10697594 0.78 ALDH1A1 (0.46) MAPTALDH1A1TDP1GAAHPGD
SCHEMBL27750446 0.76 CA12 (0.40) MAPTPOLBKMT2AHPGDMEN1
SCHEMBL16637760 0.76 MAPT (0.46) MAPTPOLBALDH1A1TDP1KMT2A
P-Cresol SCHEMBL28924536 0.73 ACHE (0.52) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL13724343 0.72 TDP1 (0.46) MAPTPOLBALDH1A1TDP1KMT2A
P-Xylene SCHEMBL18334385 0.72 TSHR (0.56) MAPTALDH1A1TDP1KMT2AGAA
P-Xylene SCHEMBL27968200 0.72 TSHR (0.56) MAPTALDH1A1TDP1KMT2AGAA

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
CN-113440418-A Dental polymerizable composition 株式会社GC 2021-09-28 CN disclosed