SCHEMBL21132544

SCHEMBL21132544

C=Cc1ccc(CC(Cc2ccc(C=C)cc2)C(CC)COC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL23902608 0.78 ALDH1A1 (0.38) ALDH1A1CA1CA2CHRNB2CHRNB4
SCHEMBL21132244 0.75 ALDH1A1 (0.31) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5199665 0.73 ALDH1A1 (0.44) ALDH1A1CA1CA2CHRNB2CHRNB4
SCHEMBL5033232 0.71 ALDH1A1 (0.46) ALDH1A1CA1CA2CHRNB2CHRNB4
SCHEMBL22505546 0.70 ALDH1A1 (0.41) ALDH1A1CA1CHRNB2CHRNB4CHRNA3
SCHEMBL3474952 0.70 ALDH1A1 (0.41) ALDH1A1CA1CA2CHRNB2CHRNB4
SCHEMBL5039083 0.70 ALDH1A1 (0.44) ALDH1A1CA1CA2CHRNB2CHRNB4
SCHEMBL4907665 0.70 ALDH1A1 (0.44) ALDH1A1CA1CA2CHRNB2CHRNB4
SCHEMBL13958798 0.69 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6549791 0.69 MCHR1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10821760-B2 Inkjet printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-11-03 US disclosed
US-20190184725-A1 INKJET PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-06-20 US disclosed