SCHEMBL4771296

SCHEMBL4771296

C1=C2CCCN=C2CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.41
CHRNA3 P32297 10/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMB5 P28074 4/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL9322982 0.96 CHRNB4 (0.45) CHRNB4CHRNA3ALDH1A1TDP1PSMB5
SCHEMBL1697263 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL2331460 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL3141751 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL1697262 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL2331456 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL2388999 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL2388996 0.94 CHRNB4 (0.44) CHRNB4CHRNA3TDP1PSMB5ALOX15
Bromide SCHEMBL28412921 0.92 CHRNB4 (0.42) CHRNB4CHRNA3TDP1PSMB5ALOX15
SCHEMBL13884308 0.86 CHRNB4 (0.39) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137712-A1 COPOLYMERS OF GLYCOLALDEHYDE DIMERS AND METHOD OF MAKING SAME SUSTAINABLE CHEMICALS, LLC (US) 2024-06-27 WO disclosed
EP-1874771-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB Pharmco Puerto Rico Inc. (PR) 2008-01-09 EP disclosed
EP-1869039-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB Pharmco Puerto Rico Inc. (PR) 2007-12-26 EP disclosed
WO-2006108693-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB PHARMCO PUERTO RICO INC (US) 2006-10-19 WO disclosed
WO-2006108689-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB PHARMCO PUERTO RICO INC (US) 2006-10-19 WO disclosed