SCHEMBL8157461

SCHEMBL8157461

c1ccc(COCCOCCC2CCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
LTA4H P09960 6/20 0.48
KMT2A Q03164 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL6609328 0.93 POLB (0.59) POLBLTA4HKMT2A
SCHEMBL8806149 0.85 POLB (0.58) POLBLTA4HKMT2A
SCHEMBL8714251 0.84 LTA4H (0.45) POLBLTA4HCHRNB4CHRNA3
SCHEMBL4663020 0.81 LTA4H (0.60) POLBLTA4HCHRNB4CHRNA3
SCHEMBL3330017 0.81 LTA4H (0.60) POLBLTA4HCHRNB4CHRNA3
SCHEMBL12487100 0.81 LTA4H (0.60) POLBLTA4HCHRNB4CHRNA3
SCHEMBL6251075 0.81 CHRNB4 (0.41) POLBLTA4HCHRNB4CHRNA3
SCHEMBL12371288 0.79 CYP2D6 (0.36) POLBLTA4HKMT2ACHRNB4CHRNA3
SCHEMBL6612536 0.78 LTA4H (0.50) POLBLTA4H
SCHEMBL3495293 0.78 LTA4H (0.51) POLBLTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021397-A4 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS INC (US) 2000-10-04 EP disclosed
EP-1021397-A1 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS INC. (US) 2000-07-26 EP disclosed
WO-1998039287-A1 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 1998-09-11 WO disclosed