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Sugi Predict / Compounds / SCHEMBL10903608

SCHEMBL10903608

SCHEMBL10903608

CC(C)CC(CNCC(=O)OC(C)(C)C)NC(=O)C1CCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CMA1 P23946 8/20 0.39
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ STAT3 P40763 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL10903604 1.00 KMT2A (0.46) KMT2APOLBSMN1; SMN2CMA1F2
SCHEMBL10903575 0.89 KMT2A (0.38) KMT2ACMA1F2ELANESTAT3
SCHEMBL10903576 0.89 KMT2A (0.38) KMT2ACMA1F2ELANESTAT3
SCHEMBL10902844 0.84 STAT3 (0.41) KMT2AF2STAT3
SCHEMBL10902835 0.84 STAT3 (0.41) KMT2AF2STAT3
SCHEMBL10902010 0.82 XPNPEP1 (0.39) KMT2APOLBSMN1; SMN2
SCHEMBL10902001 0.82 XPNPEP1 (0.39) KMT2APOLBSMN1; SMN2
SCHEMBL31186018 0.72 KMT2A (0.78) KMT2APOLBSMN1; SMN2CMA1MEN1
SCHEMBL29359618 0.72 KMT2A (0.78) KMT2APOLBSMN1; SMN2CMA1MEN1
SCHEMBL10903691 0.71 KMT2A (0.37) KMT2AF2STAT3

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
US-4596819-A Antidepressive agents WARNER-LAMBERT COMPANY (US) 1986-06-24 — — US disclosed