SCHEMBL8631023

SCHEMBL8631023

CCOC(=O)COc1ccc(C(C)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.48
TBXAS1 P24557 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.44

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
SCHEMBL24675593 1.00 GAA (0.59) GAANPSR1PTPN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29823025 0.98 GAA (0.57) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL2624372 0.87 GAA (0.62) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL6577434 0.84 GAA (0.59) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL10282672 0.84 ALDH1A1 (0.69) GAANPSR1PTPN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9396026 0.84 GAA (0.52) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL8623784 0.83 GAA (0.57) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL12742268 0.83 GAA (0.57) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL9772783 0.82 GAA (0.56) GAANPSR1PTPN1KDM4EALDH1A1
SCHEMBL11815554 0.81 GAA (0.72) GAANPSR1PTPN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed