SCHEMBL28291366

SCHEMBL28291366

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)CCC(=O)Oc4ccc5nc6c(cc5c4)Cn4c-6cc5c(c4=O)COC(=O)C5(O)CC)ccc3nc2-1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.79
▸ MEN1 O00255 3/20 0.75
▸ KMT2A Q03164 3/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ KDM4E B2RXH2 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ CYP3A4 P08684 2/20 0.75
▸ HBB P68871 2/20 0.75
▸ CASP1 P29466 1/20 0.75
▸ CASP7 P55210 1/20 0.75
▸ TP53 P04637 2/20 0.72
▸ GLA P06280 2/20 0.72
▸ HPGD P15428 2/20 0.72
▸ STAT6 P42226 1/20 0.72
▸ CHEK1 O14757 1/20 0.72
▸ HDAC3 O15379 1/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ GMNN O75496 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72

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
SCHEMBL28117060 0.97 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28292759 0.96 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8506572 0.95 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14341791 0.94 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5322850 0.94 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29229512 0.94 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4547376 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8187235 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1030270 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27748704 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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-106377528-B A kind of pharmaceutical composition of hydroxycamptothecin glutaric acid monoester 湖北医药学院 2019-05-31 — — CN disclosed
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