SCHEMBL29063280

SCHEMBL29063280

COc1cccc2[nH]c(C(=O)NC(CC3CC3)C(=O)OC(C)(C)C)cc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ RCE1 Q9Y256 1/20 0.53
▸ CTSL P07711 4/20 0.51
▸ CTSB P07858 4/20 0.51
▸ CTSS P25774 3/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL30009079 1.00 KMT2A (0.53) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24020818 1.00 KMT2A (0.53) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL30310299 0.87 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL23824473 0.87 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL24020821 0.87 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL30310555 0.87 KMT2A (0.61) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL28951850 0.87 KMT2A (0.55) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL25533122 0.87 KMT2A (0.55) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL30174726 0.87 KMT2A (0.55) KMT2AMEN1RCE1CTSLCTSB
SCHEMBL23836552 0.86 KMT2A (0.57) KMT2AMEN1RCE1CTSLCTSB

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-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
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