SCHEMBL30516672

SCHEMBL30516672

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)OC)ccc3nc2-1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.78
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ KDM4E B2RXH2 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ HBB P68871 2/20 0.73
▸ CASP1 P29466 1/20 0.73
▸ CASP7 P55210 1/20 0.73
▸ TP53 P04637 2/20 0.71
▸ GLA P06280 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ STAT6 P42226 1/20 0.71
▸ CHEK1 O14757 1/20 0.71
▸ HDAC3 O15379 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ GMNN O75496 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71

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
SCHEMBL29229512 0.96 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL918759 0.92 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27748704 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1030270 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26911556 0.92 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24220979 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4547376 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8187235 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26976681 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7008598 0.92 TOP1 (0.75) 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-116529252-A Prodrugs for sustained release of therapeutic agents and uses thereof 重庆两江药物研发中心有限公司 2023-08-01 — — CN disclosed
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