SCHEMBL28467188

SCHEMBL28467188

CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(=O)CCC(=O)O)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MAPT P10636 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ TTR P02766 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ CYP19A1 P11511 1/20 0.59
▸ TUBB4A P04350 2/20 0.52
▸ TUBB P07437 2/20 0.52
▸ TUBA3C P0DPH7 2/20 0.52
▸ TUBA1B P68363 2/20 0.52
▸ TUBA4A P68366 2/20 0.52
▸ TUBB4B P68371 2/20 0.52
▸ TUBB3 Q13509 2/20 0.52
▸ TUBB2A Q13885 2/20 0.52
▸ TUBB8 Q3ZCM7 2/20 0.52
▸ TUBA3E Q6PEY2 2/20 0.52

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
SCHEMBL28467186 1.00 KMT2A (0.73) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL28462780 1.00 KMT2A (0.73) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL28462778 0.94 KMT2A (0.82) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL3687875 0.90 KMT2A (0.75) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL3683227 0.90 KMT2A (0.75) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL16797095 0.88 FFAR1 (0.63) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL16797096 0.88 FFAR1 (0.63) KMT2ALMNAMAPTKDM4EMEN1
Triacetylresveratrol SCHEMBL717980 0.85 TTR (1.00) KMT2ALMNAMAPTKDM4EMEN1
Triacetylresveratrol SCHEMBL717979 0.85 TTR (1.00) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL20786804 0.85 TTR (0.79) KMT2ALMNAMAPTKDM4EMEN1

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-111777577-A Taxol derivative and application thereof in preparation of medicine for preventing and treating human malignant tumor 天津仁雨生物科技有限公司 2020-10-16 — — CN disclosed
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