SCHEMBL30645386

SCHEMBL30645386

CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(C=O)c(CO)cc(O)c2CC1O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.45
▸ MAOB P27338 2/20 0.40
▸ APP P05067 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL30075081 0.89 ALOX5 (0.44) ALOX5MAOBAPP
SCHEMBL16406480 0.89 ALOX5 (0.44) ALOX5MAOBAPP
SCHEMBL16406504 0.89 ALOX5 (0.44) ALOX5MAOBAPP
SCHEMBL16406491 0.86 ALOX5 (0.42) ALOX5MAOBAPPNR1H4BACE1
SCHEMBL16406481 0.81 ALOX5 (0.41) ALOX5MAOB
SCHEMBL16406484 0.80 ALOX5 (0.44) ALOX5MAOB
SCHEMBL16406492 0.80 APP (0.44) ALOX5MAOBAPPNR1H4BACE1
SCHEMBL16406485 0.78 APP (0.45) ALOX5MAOBAPPNR1H4BACE1
SCHEMBL16406483 0.78 ALOX5 (0.41) ALOX5MAOB
SCHEMBL908611 0.77 ST6GAL1 (0.41) ALOX5APPNR1H4BACE1

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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