SCHEMBL29099370

SCHEMBL29099370

CCCC[n+]1cccc(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
LMNA P02545 2/20 0.47
HSP90AA1 P07900 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAD52 P43351 1/20 0.47
APAF1 O14727 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 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
Bromide SCHEMBL9029591 0.91 KDM4E (0.83) KDM4ELMNAHSP90AA1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9028799 0.91 KDM4E (0.77) KDM4ELMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL21456850 0.88 KDM4E (0.66) KDM4ELMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL17937170 0.81 KDM4E (0.72) KDM4EACHE
SCHEMBL7969197 0.79
SCHEMBL296028 0.78 HTT (0.57) KDM4ELMNAHTTRAD52APAF1
SCHEMBL29394041 0.78 HTT (0.57) KDM4ELMNAHTTRAD52APAF1
SCHEMBL294104 0.78 LMNA (0.44) KDM4ELMNAHSP90AA1HTTSMN1; SMN2
Bromide SCHEMBL7969935 0.78 KDM4E (0.62) KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL2760994 0.78 KDM4E (0.49) KDM4ELMNASMN1; SMN2ALDH1A1NPSR1

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-114787298-B Two-component (2K) curable adhesive composition 汉高股份有限及两合公司 2023-10-31 CN disclosed