SCHEMBL21783273

SCHEMBL21783273

c1ccc(COCC2CCCC(OCc3ccccc3)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
SCN9A Q15858 2/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
TSHR P16473 1/20 0.40
PDE4D Q08499 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
TACR1 P25103 2/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL21783190 1.00 BCHE (0.55) BCHEACHESCN9APSEN1PSEN2
SCHEMBL21783279 0.88 BCHE (0.57) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL404038 0.84 BCHE (0.47) BCHEACHESCN9APSEN1PSEN2
SCHEMBL20995912 0.79 PSEN1 (0.53) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL21783194 0.77 BCHE (0.52) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL32691141 0.77 BCHE (0.48) BCHEACHESCN9ATSHRPDE4D
SCHEMBL24008144 0.75 PSEN1 (0.48) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL13942035 0.75 SCN9A (0.50) SCN9ATSHRPDE4DCTSLCTSB
SCHEMBL11992975 0.75 PSEN1 (0.48) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL18942566 0.75 PSEN1 (0.48) BCHEACHEPSEN1PSEN2APH1B

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
WO-2020046132-A1 PHARMACOLOGICAL CHAPERONES FOR ENZYME TREATMENT THERAPY LEIDEN UNIVERSITY (NL) 2020-03-05 WO disclosed