SCHEMBL24595290

SCHEMBL24595290

Cc1ccc(C23COC(C4=CCC(C)(C)C=C4)(OC2)OC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
GLI1 P08151 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLI2 P10070 1/20 0.31

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
SCHEMBL8929733 0.75 SLC6A2 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14435322 0.64 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3509939 0.61 SLC6A2 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL20059796 0.60 CYP3A4 (0.34) GLI1CYP3A4GLI2
SCHEMBL789243 0.59
SCHEMBL11430001 0.59 SLC6A2 (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13351707 0.56 KCNH2 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2082178 0.56 LMNA (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23117237 0.56 PNMT (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL30315743 0.56 SLC6A2 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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
EP-4024445-A1 COMPOSITION FOR FORMING HEAT-CONDUCTING MATERIAL, HEAT-CONDUCTING MATERIAL, HEAT-CONDUCTING SHEET, AND DEVICE WITH HEAT-CONDUCTING LAYER FUJIFILM Corporation (JP) 2022-07-06 EP disclosed