SCHEMBL21132245

SCHEMBL21132245

C=Cc1ccc(CN(CCOC(C)(C)C)Cc2ccc(C=C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SQLE Q14534 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL21339590 0.94 MEN1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21132546 0.91 MAPT (0.34) ALDH1A1HRH3
SCHEMBL19088826 0.82 MEN1 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6390256 0.79 ALDH1A1 (0.50) ALDH1A1HRH3
SCHEMBL14889166 0.79 MEN1 (0.47) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11957468 0.78 AOC3 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL22505546 0.78 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14889318 0.76 HRH3 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18493213 0.75 ALDH1A1 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11957466 0.75 HRH3 (0.36) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10857825-B2 Inkjet printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-12-08 US disclosed
US-10821760-B2 Inkjet printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-11-03 US disclosed
US-10723897-B2 Inkjet compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-07-28 US disclosed
US-20190352519-A1 INKJET COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-11-21 US disclosed
US-20190276695-A1 INKJET PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-09-12 US disclosed
US-20190184725-A1 INKJET PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-06-20 US disclosed