SCHEMBL25819453

SCHEMBL25819453

CCN1CCN(C(=O)COCCCCCCOC(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HSD11B1 P28845 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BDKRB1 P46663 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL26743342 0.78 HRH2 (0.40) HSD11B1ALDH1A1KMT2A
SCHEMBL23729436 0.77 HSD11B1 (0.44) POLBHSD11B1KDM4ETDP1ALDH1A1
SCHEMBL22374865 0.76 PIK3CD (0.49) POLBKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL13492941 0.75 ALDH1A1 (0.53) POLBHSD11B1KDM4ETDP1ALDH1A1
SCHEMBL23729167 0.75 HSD11B1 (0.42) POLBHSD11B1KDM4ETDP1ACHE
SCHEMBL26746316 0.74 GAA (0.42) HSD11B1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL22374861 0.74 BDKRB1 (0.35) POLBKDM4ETDP1ALDH1A1BDKRB1
SCHEMBL22520691 0.74 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL14595383 0.72 NPC1 (0.50) POLBHSD11B1KDM4ETDP1ACHE
SCHEMBL26143580 0.72 ALDH1A1 (0.61) KDM4EALDH1A1MAPTKMT2ALMNA

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
WO-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed