SCHEMBL30645388

SCHEMBL30645388

CC(C)=CCC/C(C)=C/CC[C@]1(C)Cc2c(c(O)cc3c2CN([C@H]2CCCNC2=O)C3=O)C[C@@H]1O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.31
▸ PTPN1 P18031 1/20 0.30

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
SCHEMBL30645387 0.86 APP (0.32) PTPN1
SCHEMBL24619671 0.80 APP (0.32) PTPN1
SCHEMBL24619670 0.79 APP (0.34) PTPN1
SCHEMBL29406154 0.67 APP (0.37) PTPN1
SCHEMBL13663953 0.66 APP (0.36) PTPN1
SCHEMBL13746651 0.66 APP (0.35) PTPN1
SCHEMBL15744228 0.65 APP (0.35) PTPN1
SCHEMBL22863326 0.65 APP (0.35) PTPN1
SCHEMBL29406722 0.65 APP (0.35) PTPN1
SCHEMBL9880208 0.65 APP (0.35) PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116687920-A Application of marine bisindole compound combined with cytarabine (Ara-C) in preparation of drugs for treating Acute Myeloid Leukemia (AML) 上海海洋大学 2023-09-05 — — CN disclosed
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