SCHEMBL22849028

SCHEMBL22849028

CC1CCCC(CNC2CCCCCCC2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
EPHX1 P07099 4/20 0.40
ACHE P22303 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TMEM97 Q5BJF2 3/20 0.36
GLB1 P16278 1/20 0.36
LMNA P02545 1/20 0.35
CXCR3 P49682 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL20991719 0.98 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23906683 0.89 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25998284 0.89 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23900254 0.89 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23906655 0.87 EPHX1 (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20106253 0.87 EPHX1 (0.41) EPHX1ACHECHRM2CHRM4CHRM5
SCHEMBL24379883 0.87 EPHX1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22790746 0.87 EPHX1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22790745 0.87 EPHX1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23744926 0.87 EPHX1 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021119159-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-17 WO disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed