SCHEMBL28335604

SCHEMBL28335604

CCOC(=O)c1cc(-c2ccccc2)c2cc(Br)ccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRB2 P47870 1/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 3/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ELANE P08246 1/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL28068481 0.89 TSHR (0.47) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL27933355 0.88 CCR6 (0.53) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28335553 0.88 MAPK1 (0.56) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28333208 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28333343 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GABRB2HPGDMAPT
SCHEMBL28068265 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28333205 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28333209 0.84 KDM4E (0.57) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28333211 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2HPGDMAPTGAA
SCHEMBL28335530 0.81 ERN1 (0.51) ALDH1A1SMN1; SMN2HPGDMAPTGAA

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-110552018-B Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization 广西师范大学 2021-03-05 CN disclosed
CN-110552018-A Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization UNIV GUANGXI NORMAL 2019-12-10 CN disclosed