SCHEMBL24675703

SCHEMBL24675703

COC(=O)CCCOCCOCCOCCCCCCOc1ccc([C@@H](C)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ PLA2G4B P0C869 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40

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
SCHEMBL24675709 1.00 HPGD (0.43) HPGDGAAALDH1A1PLA2G4BLMNA
SCHEMBL24675229 0.95 LMNA (0.41) HPGDGAAALDH1A1PLA2G4BLMNA
SCHEMBL24675241 0.87 PPARD (0.42) GAAPLA2G4BLMNAMMP9MMP8
SCHEMBL25823404 0.87 PPARD (0.42) GAAPLA2G4BLMNAMMP9MMP8
SCHEMBL24675242 0.87 PPARD (0.42) GAAPLA2G4BLMNAMMP9MMP8
SCHEMBL24675246 0.85 ALDH1A1 (0.45) GAAALDH1A1LMNAPDE3BPDE3A
SCHEMBL25828664 0.85 ALDH1A1 (0.45) GAAALDH1A1LMNAPDE3BPDE3A
SCHEMBL24675591 0.85 ALDH1A1 (0.45) GAAALDH1A1LMNAPDE3BPDE3A
SCHEMBL24675711 0.84 PLA2G4B (0.52) GAAPLA2G4BLMNAMMP9MMP8
SCHEMBL24675851 0.84 HDAC8 (0.43) PLA2G4BLMNAMMP9MMP8MMP13

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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