SCHEMBL27864931

SCHEMBL27864931

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CO)cccc3nc2-1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.82
▸ ALDH1A1 P00352 3/20 0.81
▸ GLA P06280 3/20 0.81
▸ RECQL P46063 2/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ MEN1 O00255 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81
▸ KDM4E B2RXH2 3/20 0.80
▸ RAB9A P51151 2/20 0.80
▸ BLM P54132 2/20 0.80
▸ POLB P06746 1/20 0.80
▸ MAPT P10636 1/20 0.80
▸ ABCC4 O15439 2/20 0.75
▸ HTT P42858 2/20 0.75
▸ ABCC3 O15438 1/20 0.75
▸ ACHE P22303 1/20 0.75
▸ PTGS1 P23219 1/20 0.75
▸ ABCC2 Q92887 1/20 0.75
▸ TP53 P04637 2/20 0.75

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
SCHEMBL27489142 0.95 TOP1 (0.85) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL3847426 0.95 TOP1 (0.85) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8204358 0.92 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27363066 0.92 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8490531 0.92 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
Hydrochloric Acid SCHEMBL27363068 0.92 TOP1 (0.80) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27479559 0.92 TOP1 (0.80) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL5324470 0.91 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1
Karenitecin SCHEMBL29537807 0.91 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27625556 0.91 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1

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-102603758-A Extraction method of camptothecin and 9-hydroxymethyl camptothecin from tender leaves and twigs of Nothapodytes nimmoniana YUANJIN ZHANG 2012-07-25 — — CN disclosed
CN-102603758-A Extraction method of camptothecin and 9-hydroxymethyl camptothecin from tender leaves and twigs of Nothapodytes nimmoniana YUANJIN ZHANG 2012-07-25 — — CN disclosed
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