SCHEMBL30864068

SCHEMBL30864068

COc1ccc(C(=O)N2CCC(CCCO)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SOS1 Q07889 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 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
SCHEMBL31586097 0.98 AKR1C3 (0.41) AKR1C3NR3C1PGRSLC6A4KCNH2
SCHEMBL31586917 0.94 NR3C1 (0.42) AKR1C3NR3C1PGRSLC6A4KCNH2
SCHEMBL31586520 0.91 HDAC3 (0.40) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25581203 0.91 NR3C1 (0.43) AKR1C3NR3C1PGRSLC6A4KCNH2
SCHEMBL31586070 0.91 NR3C1 (0.43) AKR1C3NR3C1PGRSLC6A4KCNH2
SCHEMBL31586256 0.90 NR3C1 (0.40) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31255497 0.90 PRSS1 (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31586935 0.89 NR3C1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30267405 0.89 SOS1 (0.40) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30267059 0.88 SOS1 (0.42) NR3C1PGRSLC6A4KCNH2PDE3B

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-2025103502-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN INC. (US) 2025-05-22 — — WO disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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