SCHEMBL30645387

SCHEMBL30645387

CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(C2CCCNC2=O)C3=O)CC1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.32
▸ ALOX5 P09917 5/20 0.32
▸ PTPN1 P18031 3/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ NR1H4 Q96RI1 2/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL30645388 0.86 CRBN (0.31) PTPN1
SCHEMBL29406154 0.83 APP (0.37) APPALOX5PTPN1NR1H4BACE1
SCHEMBL13663953 0.81 APP (0.36) APPALOX5PTPN1NR1H4BACE1
SCHEMBL13746651 0.81 APP (0.35) APPALOX5PTPN1NR1H4BACE1
SCHEMBL29406722 0.80 APP (0.35) APPALOX5PTPN1NR1H4BACE1
SCHEMBL15744228 0.80 APP (0.35) APPALOX5PTPN1NR1H4BACE1
SCHEMBL22863326 0.80 APP (0.35) APPALOX5PTPN1NR1H4BACE1
SCHEMBL9880208 0.80 APP (0.35) APPALOX5PTPN1NR1H4BACE1
SCHEMBL13667312 0.80 APP (0.36) APPALOX5PTPN1NR1H4BACE1
SCHEMBL23941477 0.79 ALOX5 (0.37) APPALOX5PTPN1NR1H4BACE1

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
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 claimed
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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