SCHEMBL11249367

SCHEMBL11249367

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
BACE1 P56817 8/20 0.43
CTSD P07339 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP4 P27487 1/20 0.43
BACE2 Q9Y5Z0 2/20 0.42
GSR P00390 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
CPB2 Q96IY4 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
NOD1 Q9Y239 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
SCHEMBL30361224 0.99 FOLH1 (0.50) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL11087895 0.93 FOLH1 (0.56) FOLH1BACE1CTSDBACE2CPB2
SCHEMBL11111912 0.92 FOLH1 (0.48) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL11249374 0.92 NOD1 (0.42) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL6700436 0.91 GSR (0.45) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL6700441 0.91 GSR (0.45) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL30033871 0.91 BACE1 (0.46) FOLH1BACE1CTSDBACE2
SCHEMBL29460689 0.90 FOLH1 (0.49) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL29776755 0.90 GSR (0.44) FOLH1BACE1CTSDDPP8DPP9
SCHEMBL28081108 0.90 BACE1 (0.48) FOLH1BACE1CTSDBACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4361673-A TREATMENT OF IMMUNE DEFICIENCIES AMERICAN HOME PRODUCTS CORPORATION (US) 1982-11-30 US disclosed
EP-0048573-A2 Polypeptides AMERICAN HOME PRODUCTS CORPORATION (US) 1982-03-31 EP disclosed