SCHEMBL30490965

SCHEMBL30490965

C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCCCCCOCCCOCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 7/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ ACACA Q13085 3/20 0.41
▸ HRH2 P25021 3/20 0.41
▸ HRH1 P35367 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 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
SCHEMBL18611917 0.89 ACACB (0.48) ACACBACACAHRH2HRH1HPGD
SCHEMBL24675649 0.89 ACACB (0.43) ACACBCA12CA1CA2CA9
SCHEMBL24675533 0.89 ACACB (0.43) ACACBCA12CA1CA2CA9
SCHEMBL24675884 0.89 ACACB (0.43) ACACBCA12CA1CA2CA9
SCHEMBL18551103 0.89 ITGB3 (0.46) ACACBCA12CA1CA2CA9
SCHEMBL18551111 0.89 ITGB3 (0.46) ACACBCA12CA1CA2CA9
SCHEMBL25823802 0.89 PLA2G4B (0.40) ACACBCA12CA1CA2CA9
SCHEMBL18551107 0.89 ACACB (0.43) ACACBITGB3ITGA2BACACAHRH2
SCHEMBL25823808 0.88 CA12 (0.41) ACACBCA12CA1CA2CA9
SCHEMBL25410186 0.88 ROCK1 (0.41) ACACBACACALMNACTSKALDH1A1

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-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
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