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SCHEMBL17246772

SCHEMBL17246772

N[C@@H](CCCCNC(=O)CCC(=O)NCCCC(NC(=O)C(CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 16/20 0.51
▸ ALB P02768 1/20 0.49
▸ NOD1 Q9Y239 3/20 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
SCHEMBL17246791 0.89 FOLH1 (0.53) FOLH1ALBNOD1
SCHEMBL17246738 0.89 FOLH1 (0.64) FOLH1
SCHEMBL18631273 0.84 FOLH1 (0.68) FOLH1
SCHEMBL18631282 0.84 FOLH1 (0.68) FOLH1
SCHEMBL25629532 0.83 OTC (0.49) FOLH1ALB
SCHEMBL10000704 0.83 OTC (0.49) FOLH1ALB
SCHEMBL9728848 0.82 OTC (0.48) FOLH1NOD1
SCHEMBL14675293 0.82 FOLH1 (0.64) FOLH1
SCHEMBL24910537 0.81 FOLH1 (0.66) FOLH1
SCHEMBL22488337 0.81 FOLH1 (0.62) FOLH1

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-2015171792-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-12 — — WO disclosed