SCHEMBL4585419

SCHEMBL4585419

CCCCCCCCCCNC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.59
LMNA P02545 1/20 0.58
NAALAD2 Q9Y3Q0 1/20 0.55
EPHX2 P34913 1/20 0.55
GRIA1 P42261 5/20 0.54
CHRND Q07001 5/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
CHRNB1 P11230 1/20 0.54
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL22372487 0.87 CHRND (0.59) FOLH1LMNAGRIA1CHRNDCHRNA1
SCHEMBL8975007 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL28031750 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL620470 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL38651117 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL23778217 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL6121330 0.84 LMNA (0.74) LMNANAALAD2EPHX2KMT2A
SCHEMBL28663068 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL28379862 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1
SCHEMBL7142929 0.84 GRIA1 (0.50) FOLH1NAALAD2GRIA1CHRNDCHRNA1

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
WO-2008113992-A2 GEL COMPOSITIONS COMPRISING UREA DERIVATIVES PLIVA HRVATSKA D.O.O. (HR) 2008-09-25 WO claimed
WO-2008113992-A2 GEL COMPOSITIONS COMPRISING UREA DERIVATIVES PLIVA HRVATSKA D.O.O. (HR) 2008-09-25 WO disclosed