SCHEMBL29370367

SCHEMBL29370367

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.56
▸ KLK5 Q9Y337 2/20 0.56
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ TLR2 O60603 1/20 0.52
▸ TLR1 Q15399 1/20 0.52
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ FOLH1 Q04609 1/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ SIRT3 Q9NTG7 1/20 0.49

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
SCHEMBL17946769 1.00 KLK7 (0.56) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL29628218 1.00 KLK7 (0.56) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL29521232 0.95 KLK7 (0.54) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL30501605 0.94 HDAC1 (0.50) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL2289677 0.93 KLK7 (0.54) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL31011377 0.93 KLK7 (0.54) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL30631751 0.93 KLK7 (0.54) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL14064950 0.93 KLK7 (0.54) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL2289683 0.93 KLK7 (0.54) KLK7KLK5HDAC1HDAC2KMT2A
SCHEMBL31488205 0.93 KLK7 (0.49) KLK7KLK5HDAC1HDAC2KMT2A

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
WO-2022022612-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-02-03 — — WO disclosed
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