SCHEMBL24675851

SCHEMBL24675851

C[C@@H](N)c1ccc(OCCCCCCOCCOCCOCCCCCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.43
▸ PLA2G4B P0C869 2/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38

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
SCHEMBL24675533 0.84 ACACB (0.43) HDAC8CA12CA1CA2CA9
SCHEMBL24675649 0.84 ACACB (0.43) HDAC8CA12CA1CA2CA9
SCHEMBL24675703 0.84 HPGD (0.43) HDAC8PLA2G4BLMNAMMP9MMP8
SCHEMBL24675709 0.84 HPGD (0.43) HDAC8PLA2G4BLMNAMMP9MMP8
Hydrochloric Acid SCHEMBL30491000 0.83 PLA2G4B (0.53) PLA2G4BLMNAMMP9MMP8MMP13
Hydrochloric Acid SCHEMBL30490834 0.83 PLA2G4B (0.53) PLA2G4BLMNAMMP9MMP8MMP13
SCHEMBL24675606 0.82 SMN1; SMN2 (0.42) PLA2G4BLMNAHDAC1HDAC2
SCHEMBL24675229 0.81 LMNA (0.41) HDAC8PLA2G4BLMNAMMP9MMP8
SCHEMBL24675711 0.81 PLA2G4B (0.52) PLA2G4BLMNAMMP9MMP8MMP13
SCHEMBL24675884 0.80 ACACB (0.43) CA12CA1CA2CA9

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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