SCHEMBL21132545

SCHEMBL21132545

Cc1ccc(COCCOC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.45
KCNH2 Q12809 3/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CHRM3 P20309 3/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
IDO1 P14902 1/20 0.35
MAOB P27338 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL12270447 0.85 AGXT (0.58) AGXTKCNH2CA1CA2CA9
SCHEMBL16353984 0.83 KCNH2 (0.47) AGXTKCNH2IDO1NPC1RAB9A
SCHEMBL12666598 0.82 TSHR (0.54) AGXTCA1IDO1SMN1; SMN2
SCHEMBL7935343 0.81 AGXT (0.54) AGXTKCNH2CA1CA2CA9
SCHEMBL21132914 0.79 ALDH1A1 (0.37) PTPN2PTPN1PTPN6
SCHEMBL14945720 0.78 AGXT (0.47) AGXTKCNH2CA1CA2CA9
SCHEMBL19543321 0.78 AGXT (0.50) AGXTKCNH2CA1CA2CA9
SCHEMBL7606495 0.78 AGXT (0.50) AGXTKCNH2CA1CA2CA9
SCHEMBL14498996 0.78 CYP1A2 (0.46) AGXTKCNH2IDO1NPC1RAB9A
SCHEMBL24555301 0.78 PTPN2 (0.33) PTPN2PTPN1PTPN6

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 4 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-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-20190184725-A1 INKJET PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-06-20 US disclosed