SCHEMBL28980686

SCHEMBL28980686

CCCCc1ccc(O)c(CCCC)c1.OCC(CO)(CO)CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BACE1 P56817 1/20 0.46
ALOX5 P09917 1/20 0.45
TYR P14679 1/20 0.45
KAT8 Q9H7Z6 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
IGF1R P08069 2/20 0.43
ALOX15 P16050 2/20 0.43
IAPP P10997 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARA Q07869 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL1024663 0.90 HPGD (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL28055345 0.88 HPGD (0.55) HPGDNPC1MAPK1HTTRAB9A
Phosphine SCHEMBL28136514 0.88 HPGD (0.55) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL16740414 0.87 HPGD (0.50) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1024270 0.86 KAT8 (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1022601 0.86 KAT8 (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL10778091 0.86 KAT8 (0.57) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL27487966 0.85 BCHE (0.52) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL330338 0.85 KAT8 (0.59) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1022729 0.85 KAT8 (0.59) HPGDNPC1MAPK1HTTRAB9A

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-115895181-A Polyformaldehyde resin composition, polyformaldehyde fiber master batch, preparation method of polyformaldehyde fiber master batch and polyformaldehyde fiber 国家能源集团宁夏煤业有限责任公司 2023-04-04 CN disclosed