SCHEMBL28958671

SCHEMBL28958671

Nc1ccc(Nc2ccccc2)cc1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
GAA P10253 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
GFER P55789 2/20 0.46
ALDH1A1 P00352 8/20 0.46
CYP3A4 P08684 4/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 1/20 0.46
AR P10275 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL27893797 0.87 MAPT (0.51) MAPTGAAMEN1KMT2ATDP1
SCHEMBL536379 0.83 MAPT (0.46) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6535929 0.81 MAPT (0.43) MAPTGAAMEN1KMT2ATDP1
SCHEMBL30392107 0.81 MAPT (0.43) MAPTGAAMEN1KMT2ATDP1
SCHEMBL23609331 0.80 MAPT (0.42) MAPTGAAMEN1KMT2ATDP1
SCHEMBL3796679 0.79 MAPT (0.48) MAPTGAAMEN1KMT2ATDP1
SCHEMBL8680807 0.78 KCNH3 (0.42) MAPTGAAMEN1KMT2ATDP1
SCHEMBL1650229 0.78 KCNH3 (0.42) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6141590 0.78 MAPT (0.41) MAPTGAAMEN1KMT2ACYP3A4
SCHEMBL2904304 0.77 ALDH1A1 (0.42) MAPTGAAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153934-B Polyester dispersants, synthesis and uses thereof 雪佛龙奥伦耐有限责任公司 2022-04-05 CN claimed
CN-109153934-B Polyester dispersants, synthesis and uses thereof 雪佛龙奥伦耐有限责任公司 2022-04-05 CN disclosed