SCHEMBL28068265

SCHEMBL28068265

CCOC(=O)c1cc(-c2ccccc2)c2cc3ccccc3cc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 7/20 0.50
HPGD P15428 6/20 0.50
RAB9A P51151 5/20 0.50
GAA P10253 4/20 0.50
HSD17B10 Q99714 2/20 0.50
CCR6 P51684 1/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.49
CNR2 P34972 1/20 0.48
CDC25B P30305 1/20 0.47
LMNA P02545 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL27933355 0.90 CCR6 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28335530 0.88 ERN1 (0.51) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28333209 0.88 KDM4E (0.57) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28335553 0.87 MAPK1 (0.56) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28333205 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28335604 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28333208 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL28333343 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL27933324 0.84 CCR6 (0.48) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL27948907 0.84 CCR6 (0.48) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A

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-105566110-B A kind of synthetic method of polysubstituted 1 naphthols and its derivative 南开大学 2017-10-20 CN disclosed
CN-105566110-A Synthesis method of polysubstituted 1-naphthol and derivatives thereof UNIV NANKAI 2016-05-11 CN disclosed