SCHEMBL29822786

SCHEMBL29822786

COC(=O)CCCCCOCCOCCOCCCCCCOc1ccc(C(F)(F)F)c(CN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.42
▸ PDE3A Q14432 4/20 0.42
▸ P2RY12 Q9H244 4/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PDE2A O00408 1/20 0.39
▸ HDAC1 Q13547 5/20 0.38
▸ HDAC2 Q92769 5/20 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
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL25822816 1.00 PDE3B (0.42) PDE3BPDE3AP2RY12THRATHRB
SCHEMBL25298753 0.88 PDK2 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL24675148 0.85 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2A
Hydrochloric Acid SCHEMBL25245928 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2A
SCHEMBL24675640 0.83 CA12 (0.40) PDE3BPDE3AP2RY12THRATHRB
SCHEMBL29823274 0.83 CA12 (0.40) PDE3BPDE3AP2RY12THRATHRB
Hydrochloric Acid SCHEMBL25437928 0.79 PDK2 (0.40) PDE3BPDE3AP2RY12THRATHRB
SCHEMBL24675523 0.78 LTA4H (0.47) PDE3BPDE3AP2RY12HDAC1HDAC2
Hydrochloric Acid SCHEMBL25250800 0.77 LTA4H (0.46) PDE3BPDE3AP2RY12HDAC1HDAC2
SCHEMBL24675766 0.76 CNR1 (0.47) PDE3BPDE3AP2RY12HDAC1HDAC2

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 5 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
EP-4281445-A1 DEGRADERS OF GRK2 AND USES THEREOF Sonata Therapeutics, Inc. (US) 2023-11-29 — — EP disclosed
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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