SCHEMBL6657211

SCHEMBL6657211

CC[CH]NC(C)CCCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.64
ADH1C P00326 1/20 0.64
ADH1A P07327 1/20 0.64
ADH4 P08319 1/20 0.64
ADH7 P40394 1/20 0.64
SPHK1 Q9NYA1 1/20 0.42
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
ADRB2 P07550 4/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL3373148 0.81
SCHEMBL8939140 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11331034 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11077984 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11076771 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13537369 0.78 ADH1B (0.64) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3960294 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9797220 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20539967 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11078050 0.78 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7

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-1042007-B1 AMINOBIGUANIDES AND THE USE THEREOF TO DISINFECT CONTACT LENSES AND PRESERVE PHARMACEUTICAL COMPOSITIONS ALCON LAB INC (US) 2004-08-11 EP claimed