SCHEMBL10902835

SCHEMBL10902835

CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 10/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CAPN1 P07384 4/20 0.39
XIAP P98170 1/20 0.39
CTSB P07858 1/20 0.39
F2 P00734 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL10902844 1.00 STAT3 (0.41) STAT3DPP4DPP8DPP9DPP7
SCHEMBL10903576 0.88 KMT2A (0.38) STAT3DPP4DPP8DPP9DPP7
SCHEMBL10903575 0.88 KMT2A (0.38) STAT3DPP4DPP8DPP9DPP7
SCHEMBL10903608 0.84 KMT2A (0.46) STAT3F2KMT2A
SCHEMBL10903604 0.84 KMT2A (0.46) STAT3F2KMT2A
SCHEMBL10904483 0.82 CTRB1 (0.61) STAT3KMT2A
SCHEMBL10904486 0.82 CTRB1 (0.61) STAT3KMT2A
SCHEMBL10903691 0.75 KMT2A (0.37) STAT3DPP4DPP8DPP9DPP7
SCHEMBL10903686 0.75 KMT2A (0.37) STAT3DPP4DPP8DPP9DPP7
SCHEMBL16529713 0.74 ACE (0.44) XIAPF2KMT2A

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