SCHEMBL4432469

SCHEMBL4432469

CC(=O)N1CC(O)CC1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.58
OPRM1 P35372 2/20 0.56
ACE P12821 1/20 0.52
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 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
SCHEMBL4432474 1.00 VHL (0.58) VHLOPRM1ACELMNATDP1
SCHEMBL4429873 0.91 OPRM1 (0.59) VHLOPRM1
SCHEMBL4429879 0.91 OPRM1 (0.59) VHLOPRM1
SCHEMBL4440562 0.81 ALOX15 (0.61) ACEKMT2A
SCHEMBL4440559 0.81 ALOX15 (0.61) ACEKMT2A
SCHEMBL4434719 0.81 ATM (0.55) VHL
SCHEMBL4434711 0.81 ATM (0.55) VHL
SCHEMBL31256510 0.80 OPRM1 (0.53) VHLOPRM1ACE
SCHEMBL4432439 0.80 ATM (0.54) VHL
SCHEMBL4439286 0.80 ATM (0.54) VHLACE

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
EP-2117536-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS Beiersdorf AG (DE) 2009-11-18 EP disclosed
WO-2008101693-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS BEIERSDORF AG (DE) 2008-08-28 WO disclosed