SCHEMBL19265779

SCHEMBL19265779

CC(CCCCN)NC(=O)NC(C)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.61
▸ CYP2D6 P10635 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ BLM P54132 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ NAALAD2 Q9Y3Q0 2/20 0.43
▸ RIMKLA Q8IXN7 1/20 0.43
▸ GABRP O00591 3/20 0.42
▸ GABRD O14764 3/20 0.42
▸ GABRA1 P14867 3/20 0.42

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
SCHEMBL13019243 0.89 FOLH1 (0.80) FOLH1NAALAD2RIMKLACPB2
SCHEMBL21342528 0.89 FOLH1 (0.80) FOLH1NAALAD2RIMKLACPB2
SCHEMBL11986386 0.89 FOLH1 (0.80) FOLH1NAALAD2RIMKLACPB2
SCHEMBL18800237 0.85 FOLH1 (0.73) FOLH1NAALAD2RIMKLACPB2
SCHEMBL2742770 0.84 FOLH1 (0.48) FOLH1CYP2D6NFKB1BLMNPSR1
SCHEMBL20160962 0.82 FOLH1 (0.44) FOLH1KMT2AALDH1A1GSRRNPEP
SCHEMBL15828219 0.79 GABRP (0.42) FOLH1NAALAD2RIMKLAGABRPGABRD
SCHEMBL15739351 0.76 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL4669761 0.76 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL2450656 0.76 FOLH1 (1.00) FOLH1NAALAD2RIMKLA

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
EP-2644594-B1 Cancer Cell Targeting Using Nanoparticles PFIZER (US) 2017-08-23 — — EP disclosed
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