SCHEMBL28629485

SCHEMBL28629485

CC(C)(C)OC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ TLR2 O60603 3/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ MDM2 Q00987 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL31758332 1.00 KMT2A (0.58) KMT2ATLR2TLR1MDM2MAPT
SCHEMBL28629484 1.00 KMT2A (0.58) KMT2ATLR2TLR1MDM2MAPT
Hydrochloric Acid SCHEMBL29380070 0.99 KMT2A (0.57) KMT2ATLR2TLR1MDM2MAPT
SCHEMBL4906458 0.92 KMT2A (0.54) KMT2ATLR2TLR1MDM2MAPT
Hydrochloric Acid SCHEMBL29902249 0.92 KMT2A (0.52) KMT2ATLR2TLR1MDM2EPHX2
SCHEMBL30887302 0.89 KMT2A (0.63) KMT2ATLR2EPHX2DPP8DPP7
SCHEMBL14682729 0.89 KMT2A (0.63) KMT2ATLR2EPHX2DPP8DPP7
SCHEMBL15160784 0.89 KMT2A (0.63) KMT2ATLR2EPHX2DPP8DPP7
SCHEMBL12972620 0.89 KMT2A (0.63) KMT2ATLR2EPHX2DPP8DPP7
SCHEMBL6669959 0.89 KMT2A (0.53) KMT2ATLR2TLR1MDM2EPHX2

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-110272539-B Ligand conjugate and probe for binding PMSA (PMSA), and preparation method and application thereof 广东工业大学 2021-09-17 — — CN disclosed
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