SCHEMBL24675606

SCHEMBL24675606

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYSLTR2 Q9NS75 3/20 0.42
▸ CYSLTR1 Q9Y271 3/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36

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
SCHEMBL24675595 0.88 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL30490950 0.85 ROCK1 (0.41) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL25829471 0.85 ROCK1 (0.41) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL24675240 0.85 CYSLTR2 (0.54) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL24675778 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL24675494 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL24675246 0.83 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL24675591 0.83 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL24675493 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2
SCHEMBL25828664 0.83 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1LMNACYSLTR2

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-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
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