SCHEMBL22491683

SCHEMBL22491683

CCOC(=O)[C@H]1OCCc2c(OC)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HSD17B10 Q99714 1/20 0.42
DHFR P00374 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 3/20 0.39
TSHR P16473 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL16534543 1.00 ADRA2A (0.45) ADRA2AADRA1DADRA1AADRA1BHSD17B10
SCHEMBL30436522 1.00 ADRA2A (0.45) ADRA2AADRA1DADRA1AADRA1BHSD17B10
Toluene SCHEMBL22466777 0.94 ALDH1A1 (0.42) ADRA2AADRA1DADRA1AADRA1BHSD17B10
SCHEMBL16534708 0.86 FFAR1 (0.43) HSD17B10TDP1KMT2AALDH1A1CYP2C19
SCHEMBL16534290 0.86 ALDH1A1 (0.43) ADRA2AADRA1DADRA1AADRA1BHSD17B10
SCHEMBL16534664 0.85 TDP1 (0.41) ADRA1AHSD17B10TDP1MEN1KMT2A
SCHEMBL16534907 0.84 SIGMAR1 (0.39) TDP1MEN1KMT2AALDH1A1CYP2C19
SCHEMBL20480080 0.83 ADRA2A (0.49) ADRA2AADRA1DADRA1AADRA1BHSD17B10
SCHEMBL20482712 0.83 ADRA2A (0.49) ADRA2AADRA1DADRA1AADRA1BHSD17B10
SCHEMBL30436776 0.83 ADRA2A (0.49) ADRA2AADRA1DADRA1AADRA1BHSD17B10

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
EP-3717476-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF Orion Corporation (FI) 2020-10-07 EP claimed
EP-3717476-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF Orion Corporation (FI) 2020-10-07 EP disclosed