SCHEMBL24675229

SCHEMBL24675229

COC(=O)CCOCCOCCOCCCCCCOc1ccc([C@@H](C)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ POLB P06746 2/20 0.39

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 0.95 HPGD (0.43) LMNAMMP9MMP8MMP13HPGD
SCHEMBL24675703 0.95 HPGD (0.43) LMNAMMP9MMP8MMP13HPGD
SCHEMBL24675242 0.87 PPARD (0.42) LMNAMMP9MMP8MMP13GAA
SCHEMBL25823404 0.87 PPARD (0.42) LMNAMMP9MMP8MMP13GAA
SCHEMBL24675241 0.87 PPARD (0.42) LMNAMMP9MMP8MMP13GAA
SCHEMBL24675711 0.87 PLA2G4B (0.52) LMNAMMP9MMP8MMP13GAA
SCHEMBL24675595 0.85 ALDH1A1 (0.45) LMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL30490834 0.83 PLA2G4B (0.53) LMNAMMP9MMP8MMP13S1PR1
Hydrochloric Acid SCHEMBL30491000 0.83 PLA2G4B (0.53) LMNAMMP9MMP8MMP13S1PR1
SCHEMBL24675851 0.81 HDAC8 (0.43) LMNAMMP9MMP8MMP13S1PR1

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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