SCHEMBL24675240

SCHEMBL24675240

C[C@@H](N)c1cccc(OCCCCCCOCCOCCOCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 4/20 0.54
▸ CYSLTR1 Q9Y271 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PLA2G4B P0C869 3/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ CFD P00746 1/20 0.41
▸ F11 P03951 1/20 0.41
▸ TPSB2 P20231 1/20 0.41

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
SCHEMBL24675411 0.95 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675791 0.95 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675410 0.95 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675595 0.88 ALDH1A1 (0.45) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675467 0.88 SMN1; SMN2 (0.49) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675627 0.88 SMN1; SMN2 (0.49) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675626 0.88 SMN1; SMN2 (0.49) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675246 0.86 ALDH1A1 (0.45) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675493 0.86 SMN1; SMN2 (0.45) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24675591 0.86 ALDH1A1 (0.45) CYSLTR2CYSLTR1SMN1; SMN2ALDH1A1KDM4E

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-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 — — WO disclosed
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