SCHEMBL27827045

SCHEMBL27827045

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 1.00
▸ ALDH1A1 P00352 3/20 0.80
▸ GLA P06280 3/20 0.80
▸ RECQL P46063 2/20 0.80
▸ TDP1 Q9NUW8 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ KDM4E B2RXH2 3/20 0.79
▸ RAB9A P51151 2/20 0.79
▸ BLM P54132 2/20 0.79
▸ POLB P06746 1/20 0.79
▸ MAPT P10636 1/20 0.79
▸ ABCC4 O15439 2/20 0.74
▸ HTT P42858 2/20 0.74
▸ ABCC3 O15438 1/20 0.74
▸ ACHE P22303 1/20 0.74
▸ PTGS1 P23219 1/20 0.74
▸ ABCC2 Q92887 1/20 0.74
▸ TP53 P04637 2/20 0.74

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
SCHEMBL29994151 1.00 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL1004508 1.00 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
Hydrochloric Acid SCHEMBL28012447 0.98 TOP1 (0.97) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL17897650 0.92 TOP1 (0.85) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL25932513 0.92 TOP1 (0.85) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL10636628 0.91 TOP1 (0.84) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL1006662 0.90 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27561956 0.90 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27367949 0.89 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL23270615 0.89 TOP1 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343944-A Gene, protein, recombinant vector and method for catalyzing synthesis of 9-methoxy camptothecine 上海师范大学 2024-01-05 — — CN claimed
CN-107760737-A A kind of method that high purity medical plant monomer camptothecine is extracted from mappia foetida 恩施州地壹嘉知识产权服务有限公司 2018-03-06 — — CN claimed
CN-104619322-A ANTICANCER PHARMACEUTICAL COMPOSITION, PREPARATION METHOD FOR SAME, AND USE THEREOF ZHANG YUANJIN 2015-05-13 — — CN claimed
CN-117343944-A Gene, protein, recombinant vector and method for catalyzing synthesis of 9-methoxy camptothecine 上海师范大学 2024-01-05 — — CN disclosed
CN-117343944-A Gene, protein, recombinant vector and method for catalyzing synthesis of 9-methoxy camptothecine 上海师范大学 2024-01-05 — — CN disclosed
CN-107760737-A A kind of method that high purity medical plant monomer camptothecine is extracted from mappia foetida 恩施州地壹嘉知识产权服务有限公司 2018-03-06 — — CN disclosed
CN-104619322-A ANTICANCER PHARMACEUTICAL COMPOSITION, PREPARATION METHOD FOR SAME, AND USE THEREOF ZHANG YUANJIN 2015-05-13 — — CN disclosed
CN-102051393-A Method for extracting camptothecin and 9-methoxyl camptothecin from root-bark of pittosporumlike nothapodytes ENSHI JINHUA BIO ENGINEERING CO LTD 2011-05-11 — — CN disclosed
CN-102051393-A Method for extracting camptothecin and 9-methoxyl camptothecin from root-bark of pittosporumlike nothapodytes ENSHI JINHUA BIO ENGINEERING CO LTD 2011-05-11 — — CN disclosed
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