SCHEMBL30099451

SCHEMBL30099451

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.62
▸ NMT1 P30419 5/20 0.47
▸ NMT2 O60551 4/20 0.47
▸ TLR2 O60603 1/20 0.45
▸ RIMKLA Q8IXN7 1/20 0.43
▸ NAALAD2 Q9Y3Q0 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ GSR P00390 1/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ CPB2 Q96IY4 2/20 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
SCHEMBL30099702 0.97 FOLH1 (0.62) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL29886785 0.97 FOLH1 (0.61) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL28081124 0.96 FOLH1 (0.59) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL29590473 0.96 FOLH1 (0.56) FOLH1NMT1NMT2TLR2DPP4
SCHEMBL30099489 0.95 FOLH1 (0.62) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL30099538 0.95 FOLH1 (0.62) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL30099462 0.95 FOLH1 (0.62) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL31480020 0.95 FOLH1 (0.62) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL30099578 0.95 FOLH1 (0.62) FOLH1NMT1NMT2TLR2RIMKLA
SCHEMBL1373284 0.95 FOLH1 (0.61) FOLH1NMT1NMT2TLR2RIMKLA

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-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
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